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

C18H20F2N8O2 — CID 86666028

IUPAC4-(3-fluoroazetidine-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)N4CC(F)C4)cnn3C)ccn2n1
InChIInChI=1S/C18H20F2N8O2/c1-25(6-4-19)18-23-14-7-12(3-5-28(14)24-18)22-16(29)15-13(8-21-26(15)2)17(30)27-9-11(20)10-27/h3,5,7-8,11H,4,6,9-10H2,1-2H3,(H,22,29)
InChIKeyADVHHWGLLPGQGC-UHFFFAOYSA-N
MW418.41 g/mol
LogP0.91
Rot. Bonds6

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

4-(3-fluoroazetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (PubChem CID 86666028) has the molecular formula C18H20F2N8O2 and a molecular weight of 418.41 g/mol. Its IUPAC name is 4-(3-fluoroazetidine-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-(3-fluoroazetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
PubChem CID86666028
Molecular FormulaC18H20F2N8O2
Molecular Weight418.41 g/mol
Exact Mass418.17
IUPAC Name4-(3-fluoroazetidine-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)N4CC(F)C4)cnn3C)ccn2n1
InChIInChI=1S/C18H20F2N8O2/c1-25(6-4-19)18-23-14-7-12(3-5-28(14)24-18)22-16(29)15-13(8-21-26(15)2)17(30)27-9-11(20)10-27/h3,5,7-8,11H,4,6,9-10H2,1-2H3,(H,22,29)
InChIKeyADVHHWGLLPGQGC-UHFFFAOYSA-N
XLogP0.91
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.41
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoroazetidine-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-(3-fluoroazetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide (CID 86666028) is 4-(3-fluoroazetidine-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-(3-fluoroazetidine-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-(3-fluoroazetidine-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)N4CC(F)C4)cnn3C)ccn2n1.
What is the InChIKey of 4-(3-fluoroazetidine-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 ADVHHWGLLPGQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N8O2/c1-25(6-4-19)18-23-14-7-12(3-5-28(14)24-18)22-16(29)15-13(8-21-26(15)2)17(30)27-9-11(20)10-27/h3,5,7-8,11H,4,6,9-10H2,1-2H3,(H,22,29).
What are the key properties of 4-(3-fluoroazetidine-1-carbonyl)-N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide?
4-(3-fluoroazetidine-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 418.41 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoroazetidine-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 86666028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).