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

C21H18FN7O2 — CID 57377741

IUPAC4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C21H18FN7O2/c1-27-18(14(11-23-27)21(31)28-8-5-9-28)20(30)24-16-10-17-25-19(13-6-3-2-4-7-13)26-29(17)12-15(16)22/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,24,30)
InChIKeyWJLVGQQAJYCDSD-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.37
Rot. Bonds4

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

4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 57377741) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
PubChem CID57377741
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F
InChIInChI=1S/C21H18FN7O2/c1-27-18(14(11-23-27)21(31)28-8-5-9-28)20(30)24-16-10-17-25-19(13-6-3-2-4-7-13)26-29(17)12-15(16)22/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,24,30)
InChIKeyWJLVGQQAJYCDSD-UHFFFAOYSA-N
XLogP2.37
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.42
LogP ≤ 52.37
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)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide (CID 57377741) is 4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1cc2nc(-c3ccccc3)nn2cc1F.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is WJLVGQQAJYCDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-27-18(14(11-23-27)21(31)28-8-5-9-28)20(30)24-16-10-17-25-19(13-6-3-2-4-7-13)26-29(17)12-15(16)22/h2-4,6-7,10-12H,5,8-9H2,1H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 2.37, 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)-N-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 57377741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).