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

C21H18FN7O2 — CID 57377630

IUPAC4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18FN7O2/c1-27-18(16(10-23-27)21(31)28-11-14(22)12-28)20(30)24-15-7-8-29-17(9-15)25-19(26-29)13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,24,30)
InChIKeyICNQFDNOBQVNNS-UHFFFAOYSA-N
MW419.42 g/mol
LogP2.18
Rot. Bonds4

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

4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 57377630) has the molecular formula C21H18FN7O2 and a molecular weight of 419.42 g/mol. Its IUPAC name is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID57377630
Molecular FormulaC21H18FN7O2
Molecular Weight419.42 g/mol
Exact Mass419.15
IUPAC Name4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1
InChIInChI=1S/C21H18FN7O2/c1-27-18(16(10-23-27)21(31)28-11-14(22)12-28)20(30)24-15-7-8-29-17(9-15)25-19(26-29)13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,24,30)
InChIKeyICNQFDNOBQVNNS-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 57377630) is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The canonical SMILES for 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is Cn1ncc(C(=O)N2CC(F)C2)c1C(=O)Nc1ccn2nc(-c3ccccc3)nc2c1.
What is the InChIKey of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is ICNQFDNOBQVNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN7O2/c1-27-18(16(10-23-27)21(31)28-11-14(22)12-28)20(30)24-15-7-8-29-17(9-15)25-19(26-29)13-5-3-2-4-6-13/h2-10,14H,11-12H2,1H3,(H,24,30).
What are the key properties of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 419.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 57377630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).