5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide

C21H18ClN7O2 — CID 165414887

IUPAC5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide
SMILESCn1c(Cl)nc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18ClN7O2/c1-27-17(16(25-21(27)22)20(31)28-9-5-10-28)19(30)23-14-8-11-29-15(12-14)24-18(26-29)13-6-3-2-4-7-13/h2-4,6-8,11-12H,5,9-10H2,1H3,(H,23,30)
InChIKeyDTEBJJCRUVNRKT-UHFFFAOYSA-N
MW435.88 g/mol
LogP2.88
Rot. Bonds4

About 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide

5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide (PubChem CID 165414887) has the molecular formula C21H18ClN7O2 and a molecular weight of 435.88 g/mol. Its IUPAC name is 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide.

Molecular Properties

Compound Name5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide
PubChem CID165414887
Molecular FormulaC21H18ClN7O2
Molecular Weight435.88 g/mol
Exact Mass435.12
IUPAC Name5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide
SMILESCn1c(Cl)nc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18ClN7O2/c1-27-17(16(25-21(27)22)20(31)28-9-5-10-28)19(30)23-14-8-11-29-15(12-14)24-18(26-29)13-6-3-2-4-7-13/h2-4,6-8,11-12H,5,9-10H2,1H3,(H,23,30)
InChIKeyDTEBJJCRUVNRKT-UHFFFAOYSA-N
XLogP2.88
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.88
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide?
The IUPAC name of 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide (CID 165414887) is 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide.
What is the SMILES notation for 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide?
The canonical SMILES for 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide is Cn1c(Cl)nc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide?
The InChIKey is DTEBJJCRUVNRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN7O2/c1-27-17(16(25-21(27)22)20(31)28-9-5-10-28)19(30)23-14-8-11-29-15(12-14)24-18(26-29)13-6-3-2-4-7-13/h2-4,6-8,11-12H,5,9-10H2,1H3,(H,23,30).
What are the key properties of 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide?
5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide has a molecular weight of 435.88 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidine-1-carbonyl)-2-chloro-3-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)imidazole-4-carboxamide is sourced from PubChem (CID 165414887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).