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

C22H21N7O3 — CID 165415238

IUPAC4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)cc1
InChIInChI=1S/C22H21N7O3/c1-27-19(17(13-23-27)22(31)28-9-3-10-28)21(30)24-15-8-11-29-18(12-15)25-20(26-29)14-4-6-16(32-2)7-5-14/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,30)
InChIKeySIWVOCWZVDYKBI-UHFFFAOYSA-N
MW431.46 g/mol
LogP2.24
Rot. Bonds5

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

4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 165415238) has the molecular formula C22H21N7O3 and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID165415238
Molecular FormulaC22H21N7O3
Molecular Weight431.46 g/mol
Exact Mass431.17
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)cc1
InChIInChI=1S/C22H21N7O3/c1-27-19(17(13-23-27)22(31)28-9-3-10-28)21(30)24-15-8-11-29-18(12-15)25-20(26-29)14-4-6-16(32-2)7-5-14/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,30)
InChIKeySIWVOCWZVDYKBI-UHFFFAOYSA-N
XLogP2.24
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.46
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 165415238) is 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[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-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is COc1ccc(-c2nc3cc(NC(=O)c4c(C(=O)N5CCC5)cnn4C)ccn3n2)cc1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is SIWVOCWZVDYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O3/c1-27-19(17(13-23-27)22(31)28-9-3-10-28)21(30)24-15-8-11-29-18(12-15)25-20(26-29)14-4-6-16(32-2)7-5-14/h4-8,11-13H,3,9-10H2,1-2H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 431.46 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 165415238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).