4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C22H21N7O2 — CID 57377304

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)ccn2nc(-c3ccccc3)nc12
InChIInChI=1S/C22H21N7O2/c1-14-17(9-12-29-20(14)25-19(26-29)15-7-4-3-5-8-15)24-21(30)18-16(13-23-27(18)2)22(31)28-10-6-11-28/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,24,30)
InChIKeyAKVBWFQPCBBIAS-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.54
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 57377304) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID57377304
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)ccn2nc(-c3ccccc3)nc12
InChIInChI=1S/C22H21N7O2/c1-14-17(9-12-29-20(14)25-19(26-29)15-7-4-3-5-8-15)24-21(30)18-16(13-23-27(18)2)22(31)28-10-6-11-28/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,24,30)
InChIKeyAKVBWFQPCBBIAS-UHFFFAOYSA-N
XLogP2.54
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 57377304) is 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1c(NC(=O)c2c(C(=O)N3CCC3)cnn2C)ccn2nc(-c3ccccc3)nc12.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is AKVBWFQPCBBIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14-17(9-12-29-20(14)25-19(26-29)15-7-4-3-5-8-15)24-21(30)18-16(13-23-27(18)2)22(31)28-10-6-11-28/h3-5,7-9,12-13H,6,10-11H2,1-2H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-(8-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 57377304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).