N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide

C27H25FN6O2 — CID 170010037

IUPACN-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N5CC(O)C5)nc4c3)cc12)c1cccc(F)c1
InChIInChI=1S/C27H25FN6O2/c1-16(17-4-3-5-20(28)10-17)29-26(36)23-15-32(2)24-7-6-18(11-22(23)24)19-8-9-34-25(12-19)30-27(31-34)33-13-21(35)14-33/h3-12,15-16,21,35H,13-14H2,1-2H3,(H,29,36)
InChIKeyUHZYFVXQGBACIQ-UHFFFAOYSA-N
MW484.54 g/mol
LogP3.70
Rot. Bonds5

About N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide

N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide (PubChem CID 170010037) has the molecular formula C27H25FN6O2 and a molecular weight of 484.54 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide
PubChem CID170010037
Molecular FormulaC27H25FN6O2
Molecular Weight484.54 g/mol
Exact Mass484.20
IUPAC NameN-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide
SMILESCC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N5CC(O)C5)nc4c3)cc12)c1cccc(F)c1
InChIInChI=1S/C27H25FN6O2/c1-16(17-4-3-5-20(28)10-17)29-26(36)23-15-32(2)24-7-6-18(11-22(23)24)19-8-9-34-25(12-19)30-27(31-34)33-13-21(35)14-33/h3-12,15-16,21,35H,13-14H2,1-2H3,(H,29,36)
InChIKeyUHZYFVXQGBACIQ-UHFFFAOYSA-N
XLogP3.70
TPSA87.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.54
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[(1R)-1-(3-fluorophenyl)-2-hydroxyethyl]-1-methylindole-3-carboxamide
CID 170008683
5-(2-formamido-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-(1-phenylethyl)indole-3-carboxamide
CID 170007745
5-[2-[[(E)-3-(dimethylamino)prop-2-enoyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-3-carboxamide
CID 170408864
5-[3-(cyclopropanecarbonylamino)-1H-indazol-6-yl]-N-[1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 170009715
5-[2-(cyclopropanecarbonylamino)imidazo[1,2-b]pyridazin-6-yl]-1-methyl-N-[(1S)-1-(3-methylphenyl)ethyl]indole-3-carboxamide
CID 170408885
N-[(3-fluorophenyl)methyl]-1-methyl-5-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]indole-3-carboxamide
CID 170009816
N-[(1S)-1-(3-fluorophenyl)ethyl]-5-[2-(1-methylpyrazol-4-yl)ethynyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 178053561
N-[(1S)-1-(3-chlorophenyl)ethyl]-1-methylindole-3-carboxamide
CID 9181387
N-[1-(3-fluorophenyl)ethyl]-2-sulfanylbenzamide
CID 103601942
N-[(1S)-1-(3-fluorophenyl)ethyl]-2,6-bis(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
CID 165389673
N-[7-[3-[2-(3,5-difluorophenyl)pyrrolidine-1-carbonyl]-1-methylindol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 170010119
N-[1-(3-fluorophenyl)ethyl]-5-[2-(methylamino)-1,3-benzothiazol-6-yl]-1H-indole-3-carboxamide
CID 170009466

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide (CID 170010037) is N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide is CC(NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N5CC(O)C5)nc4c3)cc12)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide?
The InChIKey is UHZYFVXQGBACIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O2/c1-16(17-4-3-5-20(28)10-17)29-26(36)23-15-32(2)24-7-6-18(11-22(23)24)19-8-9-34-25(12-19)30-27(31-34)33-13-21(35)14-33/h3-12,15-16,21,35H,13-14H2,1-2H3,(H,29,36).
What are the key properties of N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide?
N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide has a molecular weight of 484.54 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)ethyl]-5-[2-(3-hydroxyazetidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 170010037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).