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

C18H21FN8O2 — CID 57378391

IUPAC4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1
InChIInChI=1S/C18H21FN8O2/c1-24(9-5-19)18-22-14-10-12(4-8-27(14)23-18)21-16(28)15-13(11-20-25(15)2)17(29)26-6-3-7-26/h4,8,10-11H,3,5-7,9H2,1-2H3,(H,21,28)
InChIKeyPPUCOPJITZJLRZ-UHFFFAOYSA-N
MW400.42 g/mol
LogP0.97
Rot. Bonds6

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

4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 57378391) has the molecular formula C18H21FN8O2 and a molecular weight of 400.42 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID57378391
Molecular FormulaC18H21FN8O2
Molecular Weight400.42 g/mol
Exact Mass400.18
IUPAC Name4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
SMILESCN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1
InChIInChI=1S/C18H21FN8O2/c1-24(9-5-19)18-22-14-10-12(4-8-27(14)23-18)21-16(28)15-13(11-20-25(15)2)17(29)26-6-3-7-26/h4,8,10-11H,3,5-7,9H2,1-2H3,(H,21,28)
InChIKeyPPUCOPJITZJLRZ-UHFFFAOYSA-N
XLogP0.97
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 57378391) is 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[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-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is CN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCC4)cnn3C)ccn2n1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
The InChIKey is PPUCOPJITZJLRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN8O2/c1-24(9-5-19)18-22-14-10-12(4-8-27(14)23-18)21-16(28)15-13(11-20-25(15)2)17(29)26-6-3-7-26/h4,8,10-11H,3,5-7,9H2,1-2H3,(H,21,28).
What are the key properties of 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide has a molecular weight of 400.42 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 57378391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).