tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine

C175H179Cl9F6N32O18 — CID 157390853

IUPACtert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine
SMILESC.C.C=CC(=O)N1CCN(c2c(C(N)=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.Cc1ccnc(C(C)C)c1-n1c(=O)c(C(N)=O)c(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1NC(=O)CC#N.N#CCC(=O)O.O=C(Cl)c1cc(Cl)c(-c2ccccc2F)nc1Cl.O=C(O)c1cc(Cl)c(-c2ccccc2F)nc1Cl.[C-]#[N+]c1c(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(-c3ccccc3F)nc2n(-c2c(C)ccnc2C(C)C)c1=O.[C-]#[N+]c1c(O)c2cc(Cl)c(-c3ccccc3F)nc2n(-c2c(C)ccnc2C(C)C)c1=O
InChIInChI=1S/C33H34ClFN6O3.C31H30ClFN6O3.C28H28ClFN6O2.C24H18ClFN4O2.C12H5Cl3FNO.C12H6Cl2FNO2.C12H15N3O.C9H18N2O2.C9H14N2.C3H3NO2.2CH4/c1-19(2)25-28(20(3)12-13-37-25)41-30-22(18-23(34)26(38-30)21-10-8-9-11-24(21)35)29(27(36-7)31(41)42)39-14-16-40(17-15-39)32(43)44-33(4,5)6;1-5-23(40)37-12-14-38(15-13-37)28-20-16-21(32)26(19-8-6-7-9-22(19)33)36-30(20)39(31(42)24(28)29(34)41)27-18(4)10-11-35-25(27)17(2)3;1-15(2)22-24(16(3)8-9-33-22)36-27-18(14-19(29)23(34-27)17-6-4-5-7-20(17)30)25(21(26(31)37)28(36)38)35-12-10-32-11-13-35;1-12(2)18-21(13(3)9-10-28-18)30-23-15(22(31)20(27-4)24(30)32)11-16(25)19(29-23)14-7-5-6-8-17(14)26;13-8-5-7(12(15)18)11(14)17-10(8)6-3-1-2-4-9(6)16;13-8-5-7(12(17)18)11(14)16-10(8)6-3-1-2-4-9(6)15;1-8(2)11-12(9(3)5-7-14-11)15-10(16)4-6-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6(2)9-8(10)7(3)4-5-11-9;4-2-1-3(5)6;;/h8-13,18-19H,14-17H2,1-6H3;5-11,16-17H,1,12-15H2,2-4H3,(H2,34,41);4-9,14-15,32H,10-13H2,1-3H3,(H2,31,37);5-12,31H,1-3H3;1-5H;1-5H,(H,17,18);5,7-8H,4H2,1-3H3,(H,15,16);10H,4-7H2,1-3H3;4-6H,10H2,1-3H3;1H2,(H,5,6);2*1H4
InChIKeyBLZGTHTYCIODOL-UHFFFAOYSA-N
MW3451.63 g/mol
LogP37.01
Rot. Bonds27

About tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine

tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine (PubChem CID 157390853) has the molecular formula C175H179Cl9F6N32O18 and a molecular weight of 3451.63 g/mol. Its IUPAC name is tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Nametert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine
PubChem CID157390853
Molecular FormulaC175H179Cl9F6N32O18
Molecular Weight3451.63 g/mol
Exact Mass3445.12
IUPAC Nametert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine
SMILESC.C.C=CC(=O)N1CCN(c2c(C(N)=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.Cc1ccnc(C(C)C)c1-n1c(=O)c(C(N)=O)c(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1NC(=O)CC#N.N#CCC(=O)O.O=C(Cl)c1cc(Cl)c(-c2ccccc2F)nc1Cl.O=C(O)c1cc(Cl)c(-c2ccccc2F)nc1Cl.[C-]#[N+]c1c(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(-c3ccccc3F)nc2n(-c2c(C)ccnc2C(C)C)c1=O.[C-]#[N+]c1c(O)c2cc(Cl)c(-c3ccccc3F)nc2n(-c2c(C)ccnc2C(C)C)c1=O
InChIInChI=1S/C33H34ClFN6O3.C31H30ClFN6O3.C28H28ClFN6O2.C24H18ClFN4O2.C12H5Cl3FNO.C12H6Cl2FNO2.C12H15N3O.C9H18N2O2.C9H14N2.C3H3NO2.2CH4/c1-19(2)25-28(20(3)12-13-37-25)41-30-22(18-23(34)26(38-30)21-10-8-9-11-24(21)35)29(27(36-7)31(41)42)39-14-16-40(17-15-39)32(43)44-33(4,5)6;1-5-23(40)37-12-14-38(15-13-37)28-20-16-21(32)26(19-8-6-7-9-22(19)33)36-30(20)39(31(42)24(28)29(34)41)27-18(4)10-11-35-25(27)17(2)3;1-15(2)22-24(16(3)8-9-33-22)36-27-18(14-19(29)23(34-27)17-6-4-5-7-20(17)30)25(21(26(31)37)28(36)38)35-12-10-32-11-13-35;1-12(2)18-21(13(3)9-10-28-18)30-23-15(22(31)20(27-4)24(30)32)11-16(25)19(29-23)14-7-5-6-8-17(14)26;13-8-5-7(12(15)18)11(14)17-10(8)6-3-1-2-4-9(6)16;13-8-5-7(12(17)18)11(14)16-10(8)6-3-1-2-4-9(6)15;1-8(2)11-12(9(3)5-7-14-11)15-10(16)4-6-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6(2)9-8(10)7(3)4-5-11-9;4-2-1-3(5)6;;/h8-13,18-19H,14-17H2,1-6H3;5-11,16-17H,1,12-15H2,2-4H3,(H2,34,41);4-9,14-15,32H,10-13H2,1-3H3,(H2,31,37);5-12,31H,1-3H3;1-5H;1-5H,(H,17,18);5,7-8H,4H2,1-3H3,(H,15,16);10H,4-7H2,1-3H3;4-6H,10H2,1-3H3;1H2,(H,5,6);2*1H4
InChIKeyBLZGTHTYCIODOL-UHFFFAOYSA-N
XLogP37.01
TPSA665.35 Ų
H-Bond Donors9
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms240
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003451.63
LogP ≤ 537.01
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?
The IUPAC name of tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine (CID 157390853) is tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine.
What is the SMILES notation for tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?
The canonical SMILES for tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine is C.C.C=CC(=O)N1CCN(c2c(C(N)=O)c(=O)n(-c3c(C)ccnc3C(C)C)c3nc(-c4ccccc4F)c(Cl)cc23)CC1.CC(C)(C)OC(=O)N1CCNCC1.Cc1ccnc(C(C)C)c1-n1c(=O)c(C(N)=O)c(N2CCNCC2)c2cc(Cl)c(-c3ccccc3F)nc21.Cc1ccnc(C(C)C)c1N.Cc1ccnc(C(C)C)c1NC(=O)CC#N.N#CCC(=O)O.O=C(Cl)c1cc(Cl)c(-c2ccccc2F)nc1Cl.O=C(O)c1cc(Cl)c(-c2ccccc2F)nc1Cl.[C-]#[N+]c1c(N2CCN(C(=O)OC(C)(C)C)CC2)c2cc(Cl)c(-c3ccccc3F)nc2n(-c2c(C)ccnc2C(C)C)c1=O.[C-]#[N+]c1c(O)c2cc(Cl)c(-c3ccccc3F)nc2n(-c2c(C)ccnc2C(C)C)c1=O.
What is the InChIKey of tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?
The InChIKey is BLZGTHTYCIODOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H34ClFN6O3.C31H30ClFN6O3.C28H28ClFN6O2.C24H18ClFN4O2.C12H5Cl3FNO.C12H6Cl2FNO2.C12H15N3O.C9H18N2O2.C9H14N2.C3H3NO2.2CH4/c1-19(2)25-28(20(3)12-13-37-25)41-30-22(18-23(34)26(38-30)21-10-8-9-11-24(21)35)29(27(36-7)31(41)42)39-14-16-40(17-15-39)32(43)44-33(4,5)6;1-5-23(40)37-12-14-38(15-13-37)28-20-16-21(32)26(19-8-6-7-9-22(19)33)36-30(20)39(31(42)24(28)29(34)41)27-18(4)10-11-35-25(27)17(2)3;1-15(2)22-24(16(3)8-9-33-22)36-27-18(14-19(29)23(34-27)17-6-4-5-7-20(17)30)25(21(26(31)37)28(36)38)35-12-10-32-11-13-35;1-12(2)18-21(13(3)9-10-28-18)30-23-15(22(31)20(27-4)24(30)32)11-16(25)19(29-23)14-7-5-6-8-17(14)26;13-8-5-7(12(15)18)11(14)17-10(8)6-3-1-2-4-9(6)16;13-8-5-7(12(17)18)11(14)16-10(8)6-3-1-2-4-9(6)15;1-8(2)11-12(9(3)5-7-14-11)15-10(16)4-6-13;1-9(2,3)13-8(12)11-6-4-10-5-7-11;1-6(2)9-8(10)7(3)4-5-11-9;4-2-1-3(5)6;;/h8-13,18-19H,14-17H2,1-6H3;5-11,16-17H,1,12-15H2,2-4H3,(H2,34,41);4-9,14-15,32H,10-13H2,1-3H3,(H2,31,37);5-12,31H,1-3H3;1-5H;1-5H,(H,17,18);5,7-8H,4H2,1-3H3,(H,15,16);10H,4-7H2,1-3H3;4-6H,10H2,1-3H3;1H2,(H,5,6);2*1H4.
What are the key properties of tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine?
tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine has a molecular weight of 3451.63 g/mol, XLogP of 37.01, 27 rotatable bonds, 9 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[6-chloro-7-(2-fluorophenyl)-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-1,8-naphthyridin-4-yl]piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;6-chloro-7-(2-fluorophenyl)-4-hydroxy-3-isocyano-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-1,8-naphthyridin-2-one;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-piperazin-1-yl-1,8-naphthyridine-3-carboxamide;6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carboxamide;2-cyanoacetic acid;2-cyano-N-(4-methyl-2-propan-2-yl-3-pyridinyl)acetamide;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carbonyl chloride;2,5-dichloro-6-(2-fluorophenyl)pyridine-3-carboxylic acid;methane;4-methyl-2-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 157390853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).