4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C21H20N8O3 — CID 165414914

IUPAC4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1
InChIInChI=1S/C21H20N8O3/c1-27-18(15(12-23-27)21(31)28-7-3-8-28)20(30)24-14-5-9-29-16(11-14)25-19(26-29)13-4-6-22-17(10-13)32-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,24,30)
InChIKeyTTXJRKZHSVIIPB-UHFFFAOYSA-N
MW432.44 g/mol
LogP1.63
Rot. Bonds5

About 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165414914) has the molecular formula C21H20N8O3 and a molecular weight of 432.44 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165414914
Molecular FormulaC21H20N8O3
Molecular Weight432.44 g/mol
Exact Mass432.17
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1
InChIInChI=1S/C21H20N8O3/c1-27-18(15(12-23-27)21(31)28-7-3-8-28)20(30)24-14-5-9-29-16(11-14)25-19(26-29)13-4-6-22-17(10-13)32-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,24,30)
InChIKeyTTXJRKZHSVIIPB-UHFFFAOYSA-N
XLogP1.63
TPSA119.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57377957
4-(azetidine-1-carbonyl)-N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57377746
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
CID 57378287
4-(azetidine-1-carbonyl)-N-[2-(2-hydroxyethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 158629431
methyl 1-methyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate
CID 57378953
4-(azetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 71506857
4-N-ethyl-1-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide
CID 57377301
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)pyrazole-5-carboxamide
CID 57378392
1-methyl-5-[(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid
CID 67776711
4-N-(cyclopropylmethyl)-5-N-[2-(2-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-4,5-dicarboxamide
CID 67959677
4-(azetidine-1-carbonyl)-N-(2-bromo-6-methyl-4-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 165415448
4-(azetidine-1-carbonyl)-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-5-carboxamide
CID 165415447

Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165414914) is 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is COc1cc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)ccn1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is TTXJRKZHSVIIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O3/c1-27-18(15(12-23-27)21(31)28-7-3-8-28)20(30)24-14-5-9-29-16(11-14)25-19(26-29)13-4-6-22-17(10-13)32-2/h4-6,9-12H,3,7-8H2,1-2H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 432.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-(2-methoxy-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165414914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).