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

C18H20FN7O2 — CID 57378066

IUPAC4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)ccn2n1
InChIInChI=1S/C18H20FN7O2/c1-10(2)16-22-14-6-12(4-5-26(14)23-16)21-17(27)15-13(7-20-24(15)3)18(28)25-8-11(19)9-25/h4-7,10-11H,8-9H2,1-3H3,(H,21,27)
InChIKeyBGMWCILRDQPISR-UHFFFAOYSA-N
MW385.40 g/mol
LogP1.63
Rot. Bonds4

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

4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (PubChem CID 57378066) has the molecular formula C18H20FN7O2 and a molecular weight of 385.40 g/mol. Its IUPAC name is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
PubChem CID57378066
Molecular FormulaC18H20FN7O2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC Name4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide
SMILESCC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)ccn2n1
InChIInChI=1S/C18H20FN7O2/c1-10(2)16-22-14-6-12(4-5-26(14)23-16)21-17(27)15-13(7-20-24(15)3)18(28)25-8-11(19)9-25/h4-7,10-11H,8-9H2,1-3H3,(H,21,27)
InChIKeyBGMWCILRDQPISR-UHFFFAOYSA-N
XLogP1.63
TPSA97.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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4-(3-fluoro-azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid (2-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-amide
CID 57377956

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide (CID 57378066) is 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[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-propan-2-yl-[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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is CC(C)c1nc2cc(NC(=O)c3c(C(=O)N4CC(F)C4)cnn3C)ccn2n1.
What is the InChIKey of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
The InChIKey is BGMWCILRDQPISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN7O2/c1-10(2)16-22-14-6-12(4-5-26(14)23-16)21-17(27)15-13(7-20-24(15)3)18(28)25-8-11(19)9-25/h4-7,10-11H,8-9H2,1-3H3,(H,21,27).
What are the key properties of 4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide?
4-(3-fluoroazetidine-1-carbonyl)-1-methyl-N-(2-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide has a molecular weight of 385.40 g/mol, XLogP of 1.63, 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-propan-2-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 57378066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).