4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide

C20H18N8O2 — CID 71537870

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C20H18N8O2/c1-26-17(15(11-22-26)20(30)27-8-3-9-27)19(29)23-14-5-6-16-24-18(25-28(16)12-14)13-4-2-7-21-10-13/h2,4-7,10-12H,3,8-9H2,1H3,(H,23,29)
InChIKeyRDMCXMFACXWRIT-UHFFFAOYSA-N
MW402.42 g/mol
LogP1.62
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (PubChem CID 71537870) has the molecular formula C20H18N8O2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
PubChem CID71537870
Molecular FormulaC20H18N8O2
Molecular Weight402.42 g/mol
Exact Mass402.16
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1
InChIInChI=1S/C20H18N8O2/c1-26-17(15(11-22-26)20(30)27-8-3-9-27)19(29)23-14-5-6-16-24-18(25-28(16)12-14)13-4-2-7-21-10-13/h2,4-7,10-12H,3,8-9H2,1H3,(H,23,29)
InChIKeyRDMCXMFACXWRIT-UHFFFAOYSA-N
XLogP1.62
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 51.62
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)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide (CID 71537870) is 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(-c3cccnc3)nn2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
The InChIKey is RDMCXMFACXWRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N8O2/c1-26-17(15(11-22-26)20(30)27-8-3-9-27)19(29)23-14-5-6-16-24-18(25-28(16)12-14)13-4-2-7-21-10-13/h2,4-7,10-12H,3,8-9H2,1H3,(H,23,29).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide has a molecular weight of 402.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 71537870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).