[4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone

C20H22N4O — CID 5307468

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-6-7-16(2)19(13-15)22-9-11-23(12-10-22)20(25)18-14-17-5-3-4-8-24(17)21-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeyPHLPOCDAFQJNKZ-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.91
Rot. Bonds2

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone (PubChem CID 5307468) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
PubChem CID5307468
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone
SMILESCc1ccc(C)c(N2CCN(C(=O)c3cc4ccccn4n3)CC2)c1
InChIInChI=1S/C20H22N4O/c1-15-6-7-16(2)19(13-15)22-9-11-23(12-10-22)20(25)18-14-17-5-3-4-8-24(17)21-18/h3-8,13-14H,9-12H2,1-2H3
InChIKeyPHLPOCDAFQJNKZ-UHFFFAOYSA-N
XLogP2.91
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone (CID 5307468) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone is Cc1ccc(C)c(N2CCN(C(=O)c3cc4ccccn4n3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
The InChIKey is PHLPOCDAFQJNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15-6-7-16(2)19(13-15)22-9-11-23(12-10-22)20(25)18-14-17-5-3-4-8-24(17)21-18/h3-8,13-14H,9-12H2,1-2H3.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone has a molecular weight of 334.42 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-pyrazolo[1,5-a]pyridin-2-ylmethanone is sourced from PubChem (CID 5307468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).