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

C18H22N8O2 — CID 57377849

IUPACN-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1
InChIInChI=1S/C18H22N8O2/c1-23(2)18-21-14-10-12(6-9-26(14)22-18)20-16(27)15-13(11-19-24(15)3)17(28)25-7-4-5-8-25/h6,9-11H,4-5,7-8H2,1-3H3,(H,20,27)
InChIKeyDOUUAMLQXIBZDW-UHFFFAOYSA-N
MW382.43 g/mol
LogP1.02
Rot. Bonds4

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

N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (PubChem CID 57377849) has the molecular formula C18H22N8O2 and a molecular weight of 382.43 g/mol. Its IUPAC name is N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
PubChem CID57377849
Molecular FormulaC18H22N8O2
Molecular Weight382.43 g/mol
Exact Mass382.19
IUPAC NameN-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide
SMILESCN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1
InChIInChI=1S/C18H22N8O2/c1-23(2)18-21-14-10-12(6-9-26(14)22-18)20-16(27)15-13(11-19-24(15)3)17(28)25-7-4-5-8-25/h6,9-11H,4-5,7-8H2,1-3H3,(H,20,27)
InChIKeyDOUUAMLQXIBZDW-UHFFFAOYSA-N
XLogP1.02
TPSA100.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.43
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-[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-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide (CID 57377849) is N-[2-(dimethylamino)-[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-(dimethylamino)-[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-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is CN(C)c1nc2cc(NC(=O)c3c(C(=O)N4CCCC4)cnn3C)ccn2n1.
What is the InChIKey of N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
The InChIKey is DOUUAMLQXIBZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N8O2/c1-23(2)18-21-14-10-12(6-9-26(14)22-18)20-16(27)15-13(11-19-24(15)3)17(28)25-7-4-5-8-25/h6,9-11H,4-5,7-8H2,1-3H3,(H,20,27).
What are the key properties of N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide?
N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide has a molecular weight of 382.43 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methyl-4-(pyrrolidine-1-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 57377849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).