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

C18H21N7O2 — CID 57378065

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1
InChIInChI=1S/C18H21N7O2/c1-11(2)16-21-14-9-12(5-8-25(14)22-16)20-17(26)15-13(10-19-23(15)3)18(27)24-6-4-7-24/h5,8-11H,4,6-7H2,1-3H3,(H,20,26)
InChIKeyWXQPZUPUCAQSCP-UHFFFAOYSA-N
MW367.41 g/mol
LogP1.68
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 57378065) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID57378065
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1
InChIInChI=1S/C18H21N7O2/c1-11(2)16-21-14-9-12(5-8-25(14)22-16)20-17(26)15-13(10-19-23(15)3)18(27)24-6-4-7-24/h5,8-11H,4,6-7H2,1-3H3,(H,20,26)
InChIKeyWXQPZUPUCAQSCP-UHFFFAOYSA-N
XLogP1.68
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.68
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-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 57378065) is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[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-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is CC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is WXQPZUPUCAQSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-11(2)16-21-14-9-12(5-8-25(14)22-16)20-17(26)15-13(10-19-23(15)3)18(27)24-6-4-7-24/h5,8-11H,4,6-7H2,1-3H3,(H,20,26).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.68, 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-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 57378065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).