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

C24H21FN6O — CID 162752451

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N)nc4c3)cc12)c1cccc(F)c1
InChIInChI=1S/C24H21FN6O/c1-14(15-4-3-5-18(25)10-15)27-23(32)20-13-30(2)21-7-6-16(11-19(20)21)17-8-9-31-22(12-17)28-24(26)29-31/h3-14H,1-2H3,(H2,26,29)(H,27,32)/t14-/m0/s1
InChIKeyXKILKXNEZNAICB-AWEZNQCLSA-N
MW428.47 g/mol
LogP4.10
Rot. Bonds4

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

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide (PubChem CID 162752451) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
PubChem CID162752451
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N)nc4c3)cc12)c1cccc(F)c1
InChIInChI=1S/C24H21FN6O/c1-14(15-4-3-5-18(25)10-15)27-23(32)20-13-30(2)21-7-6-16(11-19(20)21)17-8-9-31-22(12-17)28-24(26)29-31/h3-14H,1-2H3,(H2,26,29)(H,27,32)/t14-/m0/s1
InChIKeyXKILKXNEZNAICB-AWEZNQCLSA-N
XLogP4.10
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide (CID 162752451) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide is C[C@H](NC(=O)c1cn(C)c2ccc(-c3ccn4nc(N)nc4c3)cc12)c1cccc(F)c1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
The InChIKey is XKILKXNEZNAICB-AWEZNQCLSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-14(15-4-3-5-18(25)10-15)27-23(32)20-13-30(2)21-7-6-16(11-19(20)21)17-8-9-31-22(12-17)28-24(26)29-31/h3-14H,1-2H3,(H2,26,29)(H,27,32)/t14-/m0/s1.
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(1S)-1-(3-fluorophenyl)ethyl]-1-methylindole-3-carboxamide is sourced from PubChem (CID 162752451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).