4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one

C216H319Cl2F4N37O5 — CID 163785834

IUPAC4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC(C)c1c2c(nn1C)CN(C)CC2.CC(C)c1cc(Cl)c2c(n1)CN(C)CC2.CC(C)c1cc2c([nH]c1=O)CCN(C)C2.CC(C)c1cc2c(nc1C(C)(F)F)CN(C)CC2.CC(C)c1cc2c(nn1)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1ccc2c(c1)C(=O)N(C)CC2.CC(C)c1ccc2c(c1)CCN(C)C2=O.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CN(C)CC2.CC(C)c1cn2c(n1)CN(C)CC2.CC(C)c1cnc2c(c1)CCN(C)C2.CC(C)c1cnc2c(c1)CN(C)CC21CC1.CC(C)c1cnc2c(c1)CN(CC(F)F)CC21CC1.CC(C)c1cnc2c(c1Cl)CCN(C)C2.CC(C)c1nn(C)c2c1CCN(C)C2
InChIInChI=1S/C15H20F2N2.C14H20F2N2.C14H20N2.2C13H17NO.2C12H17ClN2.C12H18N2O.2C12H18N2.C12H15NO.C12H16O.2C11H19N3.C11H17N3.3C10H17N3/c1-10(2)11-5-12-7-19(8-13(16)17)9-15(3-4-15)14(12)18-6-11;1-9(2)11-7-10-5-6-18(4)8-12(10)17-13(11)14(3,15)16;1-10(2)11-6-12-8-16(3)9-14(4-5-14)13(12)15-7-11;1-9(2)10-4-5-12-11(8-10)6-7-14(3)13(12)15;1-9(2)11-5-4-10-6-7-14(3)13(15)12(10)8-11;1-8(2)11-6-10(13)9-4-5-15(3)7-12(9)14-11;1-8(2)10-6-14-11-7-15(3)5-4-9(11)12(10)13;1-8(2)10-6-9-7-14(3)5-4-11(9)13-12(10)15;1-9(2)11-6-10-4-5-14(3)8-12(10)13-7-11;1-9(2)11-5-4-10-6-7-14(3)8-12(10)13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-8(2)11-9-5-6-13(3)7-10(9)14(4)12-11;1-8(2)11-9-5-6-13(3)7-10(9)12-14(11)4;1-8(2)11-6-9-7-14(3)5-4-10(9)12-13-11;1-8(2)9-6-13-5-4-12(3)7-10(13)11-9;2*1-8(2)10-6-9-7-12(3)4-5-13(9)11-10/h5-6,10,13H,3-4,7-9H2,1-2H3;7,9H,5-6,8H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;2*4-5,8-9H,6-7H2,1-3H3;2*6,8H,4-5,7H2,1-3H3;6,8H,4-5,7H2,1-3H3,(H,13,15);6-7,9H,4-5,8H2,1-3H3;4-5,9H,6-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,7,9H,5-6,8H2,1-2H3;2*8H,5-7H2,1-4H3;6,8H,4-5,7H2,1-3H3;3*6,8H,4-5,7H2,1-3H3
InChIKeyMSKUFTMSNKELLU-UHFFFAOYSA-N
MW3661.08 g/mol
LogP39.73
Rot. Bonds21

About 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one

4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one (PubChem CID 163785834) has the molecular formula C216H319Cl2F4N37O5 and a molecular weight of 3661.08 g/mol. Its IUPAC name is 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one.

Molecular Properties

Compound Name4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one
PubChem CID163785834
Molecular FormulaC216H319Cl2F4N37O5
Molecular Weight3661.08 g/mol
Exact Mass3657.52
IUPAC Name4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one
SMILESCC(C)c1c2c(nn1C)CN(C)CC2.CC(C)c1cc(Cl)c2c(n1)CN(C)CC2.CC(C)c1cc2c([nH]c1=O)CCN(C)C2.CC(C)c1cc2c(nc1C(C)(F)F)CN(C)CC2.CC(C)c1cc2c(nn1)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1ccc2c(c1)C(=O)N(C)CC2.CC(C)c1ccc2c(c1)CCN(C)C2=O.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CN(C)CC2.CC(C)c1cn2c(n1)CN(C)CC2.CC(C)c1cnc2c(c1)CCN(C)C2.CC(C)c1cnc2c(c1)CN(C)CC21CC1.CC(C)c1cnc2c(c1)CN(CC(F)F)CC21CC1.CC(C)c1cnc2c(c1Cl)CCN(C)C2.CC(C)c1nn(C)c2c1CCN(C)C2
InChIInChI=1S/C15H20F2N2.C14H20F2N2.C14H20N2.2C13H17NO.2C12H17ClN2.C12H18N2O.2C12H18N2.C12H15NO.C12H16O.2C11H19N3.C11H17N3.3C10H17N3/c1-10(2)11-5-12-7-19(8-13(16)17)9-15(3-4-15)14(12)18-6-11;1-9(2)11-7-10-5-6-18(4)8-12(10)17-13(11)14(3,15)16;1-10(2)11-6-12-8-16(3)9-14(4-5-14)13(12)15-7-11;1-9(2)10-4-5-12-11(8-10)6-7-14(3)13(12)15;1-9(2)11-5-4-10-6-7-14(3)13(15)12(10)8-11;1-8(2)11-6-10(13)9-4-5-15(3)7-12(9)14-11;1-8(2)10-6-14-11-7-15(3)5-4-9(11)12(10)13;1-8(2)10-6-9-7-14(3)5-4-11(9)13-12(10)15;1-9(2)11-6-10-4-5-14(3)8-12(10)13-7-11;1-9(2)11-5-4-10-6-7-14(3)8-12(10)13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-8(2)11-9-5-6-13(3)7-10(9)14(4)12-11;1-8(2)11-9-5-6-13(3)7-10(9)12-14(11)4;1-8(2)11-6-9-7-14(3)5-4-10(9)12-13-11;1-8(2)9-6-13-5-4-12(3)7-10(13)11-9;2*1-8(2)10-6-9-7-12(3)4-5-13(9)11-10/h5-6,10,13H,3-4,7-9H2,1-2H3;7,9H,5-6,8H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;2*4-5,8-9H,6-7H2,1-3H3;2*6,8H,4-5,7H2,1-3H3;6,8H,4-5,7H2,1-3H3,(H,13,15);6-7,9H,4-5,8H2,1-3H3;4-5,9H,6-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,7,9H,5-6,8H2,1-2H3;2*8H,5-7H2,1-4H3;6,8H,4-5,7H2,1-3H3;3*6,8H,4-5,7H2,1-3H3
InChIKeyMSKUFTMSNKELLU-UHFFFAOYSA-N
XLogP39.73
TPSA362.28 Ų
H-Bond Donors2
H-Bond Acceptors38
Rotatable Bonds21
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003661.08
LogP ≤ 539.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1038

Analyze 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one with MolForge

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What is the IUPAC name of 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
The IUPAC name of 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one (CID 163785834) is 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one.
What is the SMILES notation for 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
The canonical SMILES for 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one is CC(C)c1c2c(nn1C)CN(C)CC2.CC(C)c1cc(Cl)c2c(n1)CN(C)CC2.CC(C)c1cc2c([nH]c1=O)CCN(C)C2.CC(C)c1cc2c(nc1C(C)(F)F)CN(C)CC2.CC(C)c1cc2c(nn1)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1cc2n(n1)CCN(C)C2.CC(C)c1ccc2c(c1)C(=O)N(C)CC2.CC(C)c1ccc2c(c1)CCN(C)C2=O.CC(C)c1ccc2c(c1)CCNC2=O.CC(C)c1ccc2c(c1)CCOC2.CC(C)c1ccc2c(n1)CN(C)CC2.CC(C)c1cn2c(n1)CN(C)CC2.CC(C)c1cnc2c(c1)CCN(C)C2.CC(C)c1cnc2c(c1)CN(C)CC21CC1.CC(C)c1cnc2c(c1)CN(CC(F)F)CC21CC1.CC(C)c1cnc2c(c1Cl)CCN(C)C2.CC(C)c1nn(C)c2c1CCN(C)C2.
What is the InChIKey of 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
The InChIKey is MSKUFTMSNKELLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2.C14H20F2N2.C14H20N2.2C13H17NO.2C12H17ClN2.C12H18N2O.2C12H18N2.C12H15NO.C12H16O.2C11H19N3.C11H17N3.3C10H17N3/c1-10(2)11-5-12-7-19(8-13(16)17)9-15(3-4-15)14(12)18-6-11;1-9(2)11-7-10-5-6-18(4)8-12(10)17-13(11)14(3,15)16;1-10(2)11-6-12-8-16(3)9-14(4-5-14)13(12)15-7-11;1-9(2)10-4-5-12-11(8-10)6-7-14(3)13(12)15;1-9(2)11-5-4-10-6-7-14(3)13(15)12(10)8-11;1-8(2)11-6-10(13)9-4-5-15(3)7-12(9)14-11;1-8(2)10-6-14-11-7-15(3)5-4-9(11)12(10)13;1-8(2)10-6-9-7-14(3)5-4-11(9)13-12(10)15;1-9(2)11-6-10-4-5-14(3)8-12(10)13-7-11;1-9(2)11-5-4-10-6-7-14(3)8-12(10)13-11;1-8(2)9-3-4-11-10(7-9)5-6-13-12(11)14;1-9(2)10-3-4-12-8-13-6-5-11(12)7-10;1-8(2)11-9-5-6-13(3)7-10(9)14(4)12-11;1-8(2)11-9-5-6-13(3)7-10(9)12-14(11)4;1-8(2)11-6-9-7-14(3)5-4-10(9)12-13-11;1-8(2)9-6-13-5-4-12(3)7-10(13)11-9;2*1-8(2)10-6-9-7-12(3)4-5-13(9)11-10/h5-6,10,13H,3-4,7-9H2,1-2H3;7,9H,5-6,8H2,1-4H3;6-7,10H,4-5,8-9H2,1-3H3;2*4-5,8-9H,6-7H2,1-3H3;2*6,8H,4-5,7H2,1-3H3;6,8H,4-5,7H2,1-3H3,(H,13,15);6-7,9H,4-5,8H2,1-3H3;4-5,9H,6-8H2,1-3H3;3-4,7-8H,5-6H2,1-2H3,(H,13,14);3-4,7,9H,5-6,8H2,1-2H3;2*8H,5-7H2,1-4H3;6,8H,4-5,7H2,1-3H3;3*6,8H,4-5,7H2,1-3H3.
What are the key properties of 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one?
4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one has a molecular weight of 3661.08 g/mol, XLogP of 39.73, 21 rotatable bonds, 2 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;4-chloro-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;2-(1,1-difluoroethyl)-7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;6-(2,2-difluoroethyl)-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];1,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine;2,6-dimethyl-3-propan-2-yl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine;7-methyl-2-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2-methyl-6-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-7-propan-2-yl-3,4-dihydroisoquinolin-1-one;7-methyl-2-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-1,7-naphthyridine;bis(5-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine);6-methyl-3-propan-2-yl-7,8-dihydro-5H-pyrido[4,3-c]pyridazine;6-methyl-3-propan-2-ylspiro[5,7-dihydro-1,6-naphthyridine-8,1'-cyclopropane];6-methyl-3-propan-2-yl-1,5,7,8-tetrahydro-1,6-naphthyridin-2-one;6-propan-2-yl-3,4-dihydro-1H-isochromene;6-propan-2-yl-3,4-dihydro-2H-isoquinolin-1-one is sourced from PubChem (CID 163785834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).