N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C20H18N6O — CID 42598427

IUPACN-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cnn(Cc4ccccc4)c3)n2n1)C1CC1
InChIInChI=1S/C20H18N6O/c27-19(15-9-10-15)23-20-22-18-8-4-7-17(26(18)24-20)16-11-21-25(13-16)12-14-5-2-1-3-6-14/h1-8,11,13,15H,9-10,12H2,(H,23,24,27)
InChIKeyMHVHYOQQKPBYIV-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.99
Rot. Bonds5

About N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 42598427) has the molecular formula C20H18N6O and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID42598427
Molecular FormulaC20H18N6O
Molecular Weight358.41 g/mol
Exact Mass358.15
IUPAC NameN-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(-c3cnn(Cc4ccccc4)c3)n2n1)C1CC1
InChIInChI=1S/C20H18N6O/c27-19(15-9-10-15)23-20-22-18-8-4-7-17(26(18)24-20)16-11-21-25(13-16)12-14-5-2-1-3-6-14/h1-8,11,13,15H,9-10,12H2,(H,23,24,27)
InChIKeyMHVHYOQQKPBYIV-UHFFFAOYSA-N
XLogP2.99
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 42598427) is N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(-c3cnn(Cc4ccccc4)c3)n2n1)C1CC1.
What is the InChIKey of N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is MHVHYOQQKPBYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O/c27-19(15-9-10-15)23-20-22-18-8-4-7-17(26(18)24-20)16-11-21-25(13-16)12-14-5-2-1-3-6-14/h1-8,11,13,15H,9-10,12H2,(H,23,24,27).
What are the key properties of N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 358.41 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 42598427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).