2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide

C21H20ClN7O2 — CID 150485823

IUPAC2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide
SMILESCc1cnc(-c2ccn3nc(N)nc3c2)nc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN7O2/c1-12-11-25-19(14-7-9-29-17(10-14)26-21(23)28-29)27-18(12)20(31)24-8-6-16(30)13-2-4-15(22)5-3-13/h2-5,7,9-11,16,30H,6,8H2,1H3,(H2,23,28)(H,24,31)/t16-/m0/s1
InChIKeyHUTOHVKGVJIGNL-INIZCTEOSA-N
MW437.89 g/mol
LogP2.58
Rot. Bonds6

About 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide

2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide (PubChem CID 150485823) has the molecular formula C21H20ClN7O2 and a molecular weight of 437.89 g/mol. Its IUPAC name is 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide
PubChem CID150485823
Molecular FormulaC21H20ClN7O2
Molecular Weight437.89 g/mol
Exact Mass437.14
IUPAC Name2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide
SMILESCc1cnc(-c2ccn3nc(N)nc3c2)nc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1
InChIInChI=1S/C21H20ClN7O2/c1-12-11-25-19(14-7-9-29-17(10-14)26-21(23)28-29)27-18(12)20(31)24-8-6-16(30)13-2-4-15(22)5-3-13/h2-5,7,9-11,16,30H,6,8H2,1H3,(H2,23,28)(H,24,31)/t16-/m0/s1
InChIKeyHUTOHVKGVJIGNL-INIZCTEOSA-N
XLogP2.58
TPSA131.32 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.89
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-2-ethylbenzamide
CID 164740549
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595740
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3,4-dichlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595695
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(3-chlorophenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595657
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[3-(4-fluorophenyl)-3-hydroxypropyl]benzamide
CID 164740525
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-fluorophenyl)-3-hydroxypropyl]-2-methoxypyridine-3-carboxamide
CID 135304837
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-chloro-2-fluoro-N-[(3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propyl]benzamide
CID 166596348
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3R)-3-(4-chloro-2-methoxyphenyl)-3-hydroxypropyl]-2-fluoro-6-methylbenzamide
CID 166595716
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-N-[3-(2-fluorophenyl)-3-hydroxypropyl]-6-methylbenzamide
CID 164740556
N-[3-(4-chlorophenyl)-3-hydroxypropyl]-3-methyl-6-propan-2-ylpyridine-2-carboxamide
CID 166839547
2-tert-butyl-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyridine-4-carboxamide
CID 165374235
3-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[3-(4-chlorophenyl)-2-fluoropropyl]-2-fluoro-6-methylbenzamide
CID 163265642

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide (CID 150485823) is 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide is Cc1cnc(-c2ccn3nc(N)nc3c2)nc1C(=O)NCC[C@H](O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide?
The InChIKey is HUTOHVKGVJIGNL-INIZCTEOSA-N. The full InChI is InChI=1S/C21H20ClN7O2/c1-12-11-25-19(14-7-9-29-17(10-14)26-21(23)28-29)27-18(12)20(31)24-8-6-16(30)13-2-4-15(22)5-3-13/h2-5,7,9-11,16,30H,6,8H2,1H3,(H2,23,28)(H,24,31)/t16-/m0/s1.
What are the key properties of 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide?
2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide has a molecular weight of 437.89 g/mol, XLogP of 2.58, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(3S)-3-(4-chlorophenyl)-3-hydroxypropyl]-5-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 150485823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).