5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide

C24H23FN6O2 — CID 135304962

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1nc2cc(-c3cncc(C(=O)NCc4c(F)cccc4OC4CCCC4)c3)ccn2n1
InChIInChI=1S/C24H23FN6O2/c25-20-6-3-7-21(33-18-4-1-2-5-18)19(20)14-28-23(32)17-10-16(12-27-13-17)15-8-9-31-22(11-15)29-24(26)30-31/h3,6-13,18H,1-2,4-5,14H2,(H2,26,30)(H,28,32)
InChIKeyBMAYRFSTRWUSSP-UHFFFAOYSA-N
MW446.49 g/mol
LogP3.76
Rot. Bonds6

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide (PubChem CID 135304962) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide
PubChem CID135304962
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide
SMILESNc1nc2cc(-c3cncc(C(=O)NCc4c(F)cccc4OC4CCCC4)c3)ccn2n1
InChIInChI=1S/C24H23FN6O2/c25-20-6-3-7-21(33-18-4-1-2-5-18)19(20)14-28-23(32)17-10-16(12-27-13-17)15-8-9-31-22(11-15)29-24(26)30-31/h3,6-13,18H,1-2,4-5,14H2,(H2,26,30)(H,28,32)
InChIKeyBMAYRFSTRWUSSP-UHFFFAOYSA-N
XLogP3.76
TPSA107.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 135304812
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-[[(2R)-2-bicyclo[2.2.1]heptanyl]oxy]-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 153302459
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(2-bicyclo[2.2.1]heptanyloxy)-6-fluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 142412296
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-2-methoxypyridine-3-carboxamide
CID 152703549
5-(2-acetamidoimidazo[1,2-b]pyridazin-6-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]-2-methylpyridine-3-carboxamide
CID 155074344
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[6-(cyclopropylmethoxy)-2,3-difluorophenyl]methyl]-2-methylpyridine-3-carboxamide
CID 151941354
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-cyclopropyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide
CID 142412294
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[3-fluoro-2-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-methoxy-6-methylpyridine-3-carboxamide
CID 135305038
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-ethoxy-N-[[1-(2-fluorophenyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 150121188
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-(cyclopropylmethoxy)-3,5-difluorophenyl]methyl]-2-methoxypyridine-3-carboxamide
CID 142412280
7-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556367
N-benzyl-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 42845762

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide (CID 135304962) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide is Nc1nc2cc(-c3cncc(C(=O)NCc4c(F)cccc4OC4CCCC4)c3)ccn2n1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is BMAYRFSTRWUSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-20-6-3-7-21(33-18-4-1-2-5-18)19(20)14-28-23(32)17-10-16(12-27-13-17)15-8-9-31-22(11-15)29-24(26)30-31/h3,6-13,18H,1-2,4-5,14H2,(H2,26,30)(H,28,32).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-[(2-cyclopentyloxy-6-fluorophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 135304962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).