2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol

C27H28ClFN6O — CID 134485977

IUPAC2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
SMILESCCCC(c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(Cl)cc2c2ncc(C(C)(C)O)cc21
InChIInChI=1S/C27H28ClFN6O/c1-6-8-21(25-20(29)9-7-10-30-25)35-22-13-17(26-15(2)32-33-34(26)5)19(28)12-18(22)24-23(35)11-16(14-31-24)27(3,4)36/h7,9-14,21,36H,6,8H2,1-5H3
InChIKeyYXMGGCIBWPKAOU-UHFFFAOYSA-N
MW507.01 g/mol
LogP6.10
Rot. Bonds6

About 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol

2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol (PubChem CID 134485977) has the molecular formula C27H28ClFN6O and a molecular weight of 507.01 g/mol. Its IUPAC name is 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
PubChem CID134485977
Molecular FormulaC27H28ClFN6O
Molecular Weight507.01 g/mol
Exact Mass506.20
IUPAC Name2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
SMILESCCCC(c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(Cl)cc2c2ncc(C(C)(C)O)cc21
InChIInChI=1S/C27H28ClFN6O/c1-6-8-21(25-20(29)9-7-10-30-25)35-22-13-17(26-15(2)32-33-34(26)5)19(28)12-18(22)24-23(35)11-16(14-31-24)27(3,4)36/h7,9-14,21,36H,6,8H2,1-5H3
InChIKeyYXMGGCIBWPKAOU-UHFFFAOYSA-N
XLogP6.10
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.01
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[8-chloro-5-[1-(3-fluoro-2-pyridinyl)butyl]-7-[3-methyl-5-(trideuteriomethyl)triazol-4-yl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 154022884
2-[11-(3,5-dimethyltriazol-4-yl)-8-(1-phenylbutyl)-3,8,12-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaen-5-yl]propan-2-ol
CID 122694962
2-[7-(3,5-dimethyltriazol-4-yl)-5-heptan-4-ylpyrido[3,2-b]indol-3-yl]propan-2-ol
CID 122688433
2-[7-(3,5-dimethyltriazol-4-yl)-5-[(R)-(3-fluoro-2-pyridinyl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 155802732
2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(3-methoxy-2-pyridinyl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 134485958
2-[9-chloro-7-(3,5-dimethyltriazol-4-yl)-5-(1,1,1-trifluoroheptan-4-yl)pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 134485951
2-[7-(3,5-dimethyltriazol-4-yl)-5-(1,1,1,7,7,7-hexafluoroheptan-4-yl)pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 122688443
2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)-(oxan-4-yl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 134485955
2-[10-(3,5-dimethyltriazol-4-yl)-7-[(S)-(3-fluoro-2-pyridinyl)-(oxan-3-yl)methyl]-3-methyl-3,4,7,12-tetrazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),4,9,11-pentaen-5-yl]propan-2-ol
CID 165068270
2-[5-[1-(2,4-difluorophenyl)-4-propoxybutyl]-3-(3,5-dimethyltriazol-4-yl)-9-fluoropyrido[3,2-b]indol-7-yl]propan-2-ol
CID 138527887
2-[9-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 134485988
2-[7-(3,5-dimethyltriazol-4-yl)-9-fluoro-5-[oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
CID 134486005

Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The IUPAC name of 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol (CID 134485977) is 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol is CCCC(c1ncccc1F)n1c2cc(-c3c(C)nnn3C)c(Cl)cc2c2ncc(C(C)(C)O)cc21.
What is the InChIKey of 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The InChIKey is YXMGGCIBWPKAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN6O/c1-6-8-21(25-20(29)9-7-10-30-25)35-22-13-17(26-15(2)32-33-34(26)5)19(28)12-18(22)24-23(35)11-16(14-31-24)27(3,4)36/h7,9-14,21,36H,6,8H2,1-5H3.
What are the key properties of 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol has a molecular weight of 507.01 g/mol, XLogP of 6.10, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-7-(3,5-dimethyltriazol-4-yl)-5-[1-(3-fluoro-2-pyridinyl)butyl]pyrido[3,2-b]indol-3-yl]propan-2-ol is sourced from PubChem (CID 134485977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).