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

C19H23FN8O2 — CID 86666029

IUPACN-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1
InChIInChI=1S/C19H23FN8O2/c1-25(10-6-20)19-23-15-11-13(5-9-28(15)24-19)22-17(29)16-14(12-21-26(16)2)18(30)27-7-3-4-8-27/h5,9,11-12H,3-4,6-8,10H2,1-2H3,(H,22,29)
InChIKeyAKFHXLWTSBLBAS-UHFFFAOYSA-N
MW414.45 g/mol
LogP1.36
Rot. Bonds6

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

N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (PubChem CID 86666029) has the molecular formula C19H23FN8O2 and a molecular weight of 414.45 g/mol. Its IUPAC name is N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
PubChem CID86666029
Molecular FormulaC19H23FN8O2
Molecular Weight414.45 g/mol
Exact Mass414.19
IUPAC NameN-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1
InChIInChI=1S/C19H23FN8O2/c1-25(10-6-20)19-23-15-11-13(5-9-28(15)24-19)22-17(29)16-14(12-21-26(16)2)18(30)27-7-3-4-8-27/h5,9,11-12H,3-4,6-8,10H2,1-2H3,(H,22,29)
InChIKeyAKFHXLWTSBLBAS-UHFFFAOYSA-N
XLogP1.36
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (CID 86666029) is N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is CN(CCF)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1.
What is the InChIKey of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The InChIKey is AKFHXLWTSBLBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN8O2/c1-25(10-6-20)19-23-15-11-13(5-9-28(15)24-19)22-17(29)16-14(12-21-26(16)2)18(30)27-7-3-4-8-27/h5,9,11-12H,3-4,6-8,10H2,1-2H3,(H,22,29).
What are the key properties of N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide has a molecular weight of 414.45 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-fluoroethyl(methyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 86666029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).