2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide

C21H18ClN5O2 — CID 165414888

IUPAC2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide
SMILESCC(C)Oc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1
InChIInChI=1S/C21H18ClN5O2/c1-13(2)29-19-11-15(10-17(22)24-19)21(28)23-16-8-9-27-18(12-16)25-20(26-27)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,28)
InChIKeyPLXOWLSESNADPF-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.48
Rot. Bonds5

About 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide

2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide (PubChem CID 165414888) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide
PubChem CID165414888
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC Name2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide
SMILESCC(C)Oc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1
InChIInChI=1S/C21H18ClN5O2/c1-13(2)29-19-11-15(10-17(22)24-19)21(28)23-16-8-9-27-18(12-16)25-20(26-27)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,28)
InChIKeyPLXOWLSESNADPF-UHFFFAOYSA-N
XLogP4.48
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-Chloro-4-methoxyphenyl)methyl]amino]-1-ethyl-n-(4-pyridinylmethyl)-1h-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 9933503
(2S)-2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-4-methoxy-N-(5-methyl-2-pyridinyl)butanamide
CID 57504266
4-(3-Chloro-4-methoxy-benzylamino)-1-ethyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid (tetrahydro-furan-2-ylmethyl)-amide
CID 20709323
2-[1-(2-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]oxy-4-methoxy-N-(5-methyl-2-pyridinyl)butanamide
CID 57504264
N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]isonicotinamide
CID 57505530
N-[3-(5-chloro-2-propan-2-yloxyphenyl)-1-methylpyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 70496662
2-ethoxy-N-(4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)nicotinamide
CID 7217846
N,2-bis(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
CID 44522292
N-(2-chloro-4-methylphenyl)-2-(4-ethoxyphenyl)-5-piperidin-4-ylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride
CID 44522295
[4-[2-(3-Chlorophenyl)-5-(3-pyridinyl)-7-pyrazolo[1,5-a]pyrimidinyl]-1-piperazinyl]-(3-furanyl)methanone
CID 44629742
5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)-N-pyridin-4-ylpyrazole-3-carboxamide
CID 71697564
3-methoxy-N-(3-(2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)benzamide
CID 46883709

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide (CID 165414888) is 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide is CC(C)Oc1cc(C(=O)Nc2ccn3nc(-c4ccccc4)nc3c2)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide?
The InChIKey is PLXOWLSESNADPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-13(2)29-19-11-15(10-17(22)24-19)21(28)23-16-8-9-27-18(12-16)25-20(26-27)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,23,28).
What are the key properties of 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide?
2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-6-propan-2-yloxypyridine-4-carboxamide is sourced from PubChem (CID 165414888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).