4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

C21H18FN7O2 — CID 67776704

IUPAC4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C21H18FN7O2/c1-27-18(16(12-23-27)21(31)28-7-3-8-28)20(30)24-15-6-9-29-17(11-15)25-19(26-29)13-4-2-5-14(22)10-13/h2,4-6,9-12H,3,7-8H2,1H3,(H,24,30)
InChIKeyWTLCYARLRQMTAK-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.37
Rot. Bonds4

About 4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 67776704) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID67776704
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(F)c3)nc2c1
InChIInChI=1S/C21H18FN7O2/c1-27-18(16(12-23-27)21(31)28-7-3-8-28)20(30)24-15-6-9-29-17(11-15)25-19(26-29)13-4-2-5-14(22)10-13/h2,4-6,9-12H,3,7-8H2,1H3,(H,24,30)
InChIKeyWTLCYARLRQMTAK-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-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 67776704) is 4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[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-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccn2nc(-c3cccc(F)c3)nc2c1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is WTLCYARLRQMTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-27-18(16(12-23-27)21(31)28-7-3-8-28)20(30)24-15-6-9-29-17(11-15)25-19(26-29)13-4-2-5-14(22)10-13/h2,4-6,9-12H,3,7-8H2,1H3,(H,24,30).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-(3-fluorophenyl)-[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-[2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 67776704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).