[4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone

C21H27N5O2 — CID 91629590

IUPAC[4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-23(2)17-8-6-16(7-9-17)20(27)24-11-13-25(14-12-24)21(28)18-15-22-26-10-4-3-5-19(18)26/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyRNGMTHUREZAFGZ-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.88
Rot. Bonds3

About [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 91629590) has the molecular formula C21H27N5O2 and a molecular weight of 381.48 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID91629590
Molecular FormulaC21H27N5O2
Molecular Weight381.48 g/mol
Exact Mass381.22
IUPAC Name[4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1
InChIInChI=1S/C21H27N5O2/c1-23(2)17-8-6-16(7-9-17)20(27)24-11-13-25(14-12-24)21(28)18-15-22-26-10-4-3-5-19(18)26/h6-9,15H,3-5,10-14H2,1-2H3
InChIKeyRNGMTHUREZAFGZ-UHFFFAOYSA-N
XLogP1.88
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone (CID 91629590) is [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(C(=O)c3cnn4c3CCCC4)CC2)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is RNGMTHUREZAFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2/c1-23(2)17-8-6-16(7-9-17)20(27)24-11-13-25(14-12-24)21(28)18-15-22-26-10-4-3-5-19(18)26/h6-9,15H,3-5,10-14H2,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone?
[4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 381.48 g/mol, XLogP of 1.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-[4-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 91629590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).