4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

C22H21N7O2 — CID 57377305

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1cn2nc(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C22H21N7O2/c1-14-13-29-18(25-20(26-29)15-7-4-3-5-8-15)11-17(14)24-21(30)19-16(12-23-27(19)2)22(31)28-9-6-10-28/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,24,30)
InChIKeyNGZLWFMYYBGIQI-UHFFFAOYSA-N
MW415.46 g/mol
LogP2.54
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 57377305) 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-(6-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-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID57377305
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCc1cn2nc(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C
InChIInChI=1S/C22H21N7O2/c1-14-13-29-18(25-20(26-29)15-7-4-3-5-8-15)11-17(14)24-21(30)19-16(12-23-27(19)2)22(31)28-9-6-10-28/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,24,30)
InChIKeyNGZLWFMYYBGIQI-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-(6-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-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 57377305) is 4-(azetidine-1-carbonyl)-1-methyl-N-(6-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-(6-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-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cc1cn2nc(-c3ccccc3)nc2cc1NC(=O)c1c(C(=O)N2CCC2)cnn1C.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is NGZLWFMYYBGIQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-14-13-29-18(25-20(26-29)15-7-4-3-5-8-15)11-17(14)24-21(30)19-16(12-23-27(19)2)22(31)28-9-6-10-28/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(6-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-(6-methyl-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 57377305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).