2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine

C93H127ClF2N18OS — CID 158392760

IUPAC2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESC=C1Cc2c(c(C(C)(C)C)nn2C)CC1C.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CN1Cc2ncccc2C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C17H22FN3.C16H22N2O.C14H17FN2.C14H22N2.C13H20N2.C10H11ClN2S.C9H13N5/c1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-9-7-11-12(8-10(9)2)16(6)15-13(11)14(3,4)5;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;9H,2,7-8H2,1,3-6H3;5-7,11H,8-9H2,1-4H3;4-5H,1-3H3;5H,1-4H3
InChIKeyGXEBHVNKNAQTPF-UHFFFAOYSA-N
MW1618.68 g/mol
LogP20.77
Rot. Bonds3

About 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine

2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine (PubChem CID 158392760) has the molecular formula C93H127ClF2N18OS and a molecular weight of 1618.68 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
PubChem CID158392760
Molecular FormulaC93H127ClF2N18OS
Molecular Weight1618.68 g/mol
Exact Mass1616.98
IUPAC Name2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine
SMILESC=C1Cc2c(c(C(C)(C)C)nn2C)CC1C.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CN1Cc2ncccc2C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1
InChIInChI=1S/C17H22FN3.C16H22N2O.C14H17FN2.C14H22N2.C13H20N2.C10H11ClN2S.C9H13N5/c1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-9-7-11-12(8-10(9)2)16(6)15-13(11)14(3,4)5;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;9H,2,7-8H2,1,3-6H3;5-7,11H,8-9H2,1-4H3;4-5H,1-3H3;5H,1-4H3
InChIKeyGXEBHVNKNAQTPF-UHFFFAOYSA-N
XLogP20.77
TPSA189.59 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds3
Heavy Atoms116
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001618.68
LogP ≤ 520.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine (CID 158392760) is 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine is C=C1Cc2c(c(C(C)(C)C)nn2C)CC1C.CC(C)(C)c1ccc(F)c(-c2nnc3n2CCCCC3)c1.CC(C)(C)c1cnc2c(c1)C(N1CCOCC1)=CC2.CC(C)(C)c1nc2c(Cl)nccc2s1.CN1Cc2ncccc2C(C(C)(C)C)C1.Cc1cc(C(C)(C)C)n(-c2ccccc2F)n1.Cc1nc(C(C)(C)C)n2ncnc2n1.
What is the InChIKey of 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
The InChIKey is GXEBHVNKNAQTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3.C16H22N2O.C14H17FN2.C14H22N2.C13H20N2.C10H11ClN2S.C9H13N5/c1-17(2,3)12-8-9-14(18)13(11-12)16-20-19-15-7-5-4-6-10-21(15)16;1-16(2,3)12-10-13-14(17-11-12)4-5-15(13)18-6-8-19-9-7-18;1-10-9-13(14(2,3)4)17(16-10)12-8-6-5-7-11(12)15;1-9-7-11-12(8-10(9)2)16(6)15-13(11)14(3,4)5;1-13(2,3)11-8-15(4)9-12-10(11)6-5-7-14-12;1-10(2,3)9-13-7-6(14-9)4-5-12-8(7)11;1-6-12-7(9(2,3)4)14-8(13-6)10-5-11-14/h8-9,11H,4-7,10H2,1-3H3;5,10-11H,4,6-9H2,1-3H3;5-9H,1-4H3;9H,2,7-8H2,1,3-6H3;5-7,11H,8-9H2,1-4H3;4-5H,1-3H3;5H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine?
2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine has a molecular weight of 1618.68 g/mol, XLogP of 20.77, 3 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-[1,3]thiazolo[4,5-c]pyridine;4-(3-tert-butyl-7H-cyclopenta[b]pyridin-5-yl)morpholine;3-tert-butyl-1,5-dimethyl-6-methylidene-5,7-dihydro-4H-indazole;5-tert-butyl-1-(2-fluorophenyl)-3-methylpyrazole;3-(5-tert-butyl-2-fluorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine;5-tert-butyl-7-methyl-6,8-dihydro-5H-1,7-naphthyridine;7-tert-butyl-5-methyl-[1,2,4]triazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 158392760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).