N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

C15H17N7O — CID 167895785

IUPACN-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1cnn(CC2CCCN2)c1)c1ccn2ncnc2c1
InChIInChI=1S/C15H17N7O/c23-15(11-3-5-22-14(6-11)17-10-19-22)20-13-7-18-21(9-13)8-12-2-1-4-16-12/h3,5-7,9-10,12,16H,1-2,4,8H2,(H,20,23)
InChIKeyGGNNQAGPRPJJLX-UHFFFAOYSA-N
MW311.35 g/mol
LogP0.93
Rot. Bonds4

About N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide

N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 167895785) has the molecular formula C15H17N7O and a molecular weight of 311.35 g/mol. Its IUPAC name is N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
PubChem CID167895785
Molecular FormulaC15H17N7O
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(Nc1cnn(CC2CCCN2)c1)c1ccn2ncnc2c1
InChIInChI=1S/C15H17N7O/c23-15(11-3-5-22-14(6-11)17-10-19-22)20-13-7-18-21(9-13)8-12-2-1-4-16-12/h3,5-7,9-10,12,16H,1-2,4,8H2,(H,20,23)
InChIKeyGGNNQAGPRPJJLX-UHFFFAOYSA-N
XLogP0.93
TPSA89.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide (CID 167895785) is N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is O=C(Nc1cnn(CC2CCCN2)c1)c1ccn2ncnc2c1.
What is the InChIKey of N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is GGNNQAGPRPJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O/c23-15(11-3-5-22-14(6-11)17-10-19-22)20-13-7-18-21(9-13)8-12-2-1-4-16-12/h3,5-7,9-10,12,16H,1-2,4,8H2,(H,20,23).
What are the key properties of N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide?
N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 167895785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).