1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C22H30N6O — CID 59463557

IUPAC1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nc1
InChIInChI=1S/C22H30N6O/c1-17-5-6-21(23-13-17)28-15-18-14-25(8-7-20(18)24-28)16-22(29)27-11-9-26(10-12-27)19-3-2-4-19/h5-6,13,15,19H,2-4,7-12,14,16H2,1H3
InChIKeyIKTCPHKKKOBEPC-UHFFFAOYSA-N
MW394.52 g/mol
LogP1.63
Rot. Bonds4

About 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 59463557) has the molecular formula C22H30N6O and a molecular weight of 394.52 g/mol. Its IUPAC name is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

Compound Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
PubChem CID59463557
Molecular FormulaC22H30N6O
Molecular Weight394.52 g/mol
Exact Mass394.25
IUPAC Name1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
SMILESCc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nc1
InChIInChI=1S/C22H30N6O/c1-17-5-6-21(23-13-17)28-15-18-14-25(8-7-20(18)24-28)16-22(29)27-11-9-26(10-12-27)19-3-2-4-19/h5-6,13,15,19H,2-4,7-12,14,16H2,1H3
InChIKeyIKTCPHKKKOBEPC-UHFFFAOYSA-N
XLogP1.63
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The IUPAC name of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 59463557) is 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.
What is the SMILES notation for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The canonical SMILES for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is Cc1ccc(-n2cc3c(n2)CCN(CC(=O)N2CCN(C4CCC4)CC2)C3)nc1.
What is the InChIKey of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
The InChIKey is IKTCPHKKKOBEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O/c1-17-5-6-21(23-13-17)28-15-18-14-25(8-7-20(18)24-28)16-22(29)27-11-9-26(10-12-27)19-3-2-4-19/h5-6,13,15,19H,2-4,7-12,14,16H2,1H3.
What are the key properties of 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?
1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 394.52 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutylpiperazin-1-yl)-2-[2-(5-methyl-2-pyridinyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 59463557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).