N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C21H23N7O2 — CID 70929717

IUPACN-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(N3CCN(C(=O)Cc4cccnc4)CC3)n2n1)C1CC1
InChIInChI=1S/C21H23N7O2/c29-19(13-15-3-2-8-22-14-15)27-11-9-26(10-12-27)18-5-1-4-17-23-21(25-28(17)18)24-20(30)16-6-7-16/h1-5,8,14,16H,6-7,9-13H2,(H,24,25,30)
InChIKeyFNVQZFLIEDWAAS-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.36
Rot. Bonds5

About N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 70929717) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID70929717
Molecular FormulaC21H23N7O2
Molecular Weight405.46 g/mol
Exact Mass405.19
IUPAC NameN-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESO=C(Nc1nc2cccc(N3CCN(C(=O)Cc4cccnc4)CC3)n2n1)C1CC1
InChIInChI=1S/C21H23N7O2/c29-19(13-15-3-2-8-22-14-15)27-11-9-26(10-12-27)18-5-1-4-17-23-21(25-28(17)18)24-20(30)16-6-7-16/h1-5,8,14,16H,6-7,9-13H2,(H,24,25,30)
InChIKeyFNVQZFLIEDWAAS-UHFFFAOYSA-N
XLogP1.36
TPSA95.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 70929717) is N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is O=C(Nc1nc2cccc(N3CCN(C(=O)Cc4cccnc4)CC3)n2n1)C1CC1.
What is the InChIKey of N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is FNVQZFLIEDWAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N7O2/c29-19(13-15-3-2-8-22-14-15)27-11-9-26(10-12-27)18-5-1-4-17-23-21(25-28(17)18)24-20(30)16-6-7-16/h1-5,8,14,16H,6-7,9-13H2,(H,24,25,30).
What are the key properties of N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 70929717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).