6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

C26H30N8 — CID 661092

IUPAC6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCCCCC4)nc32)cc1
InChIInChI=1S/C26H30N8/c1-2-9-15-33(14-8-1)26-29-24(32-18-16-31(17-19-32)23-12-6-7-13-27-23)22-20-28-34(25(22)30-26)21-10-4-3-5-11-21/h3-7,10-13,20H,1-2,8-9,14-19H2
InChIKeyDLUBJJOBCXTABR-UHFFFAOYSA-N
MW454.58 g/mol
LogP3.92
Rot. Bonds4

About 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine

6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (PubChem CID 661092) has the molecular formula C26H30N8 and a molecular weight of 454.58 g/mol. Its IUPAC name is 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
PubChem CID661092
Molecular FormulaC26H30N8
Molecular Weight454.58 g/mol
Exact Mass454.26
IUPAC Name6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
SMILESc1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCCCCC4)nc32)cc1
InChIInChI=1S/C26H30N8/c1-2-9-15-33(14-8-1)26-29-24(32-18-16-31(17-19-32)23-12-6-7-13-27-23)22-20-28-34(25(22)30-26)21-10-4-3-5-11-21/h3-7,10-13,20H,1-2,8-9,14-19H2
InChIKeyDLUBJJOBCXTABR-UHFFFAOYSA-N
XLogP3.92
TPSA66.21 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1050412
4-[1-phenyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-6-yl]morpholine
CID 4556262
4-(azepan-1-yl)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 915603
N-(4-methoxyphenyl)-1-phenyl-6-piperidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 17016765
4-(azepan-1-yl)-N-(3-chlorophenyl)-1-phenylpyrazolo[5,4-d]pyrimidin-6-amine
CID 8550271
cyclopentyl-[4-(6-methyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methanone
CID 42671820
1-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 7188740
1-(4-methoxyphenyl)-4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 1301905
6-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 1235469
1-methyl-4-(4-methylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine
CID 50795352
1-phenyl-4-piperazin-1-yl-6-propan-2-ylpyrazolo[5,4-d]pyrimidine
CID 42671771
6-tert-butyl-1-phenyl-4-piperazin-1-ylpyrazolo[5,4-d]pyrimidine
CID 42805374

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The IUPAC name of 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine (CID 661092) is 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is c1ccc(-n2ncc3c(N4CCN(c5ccccn5)CC4)nc(N4CCCCCC4)nc32)cc1.
What is the InChIKey of 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
The InChIKey is DLUBJJOBCXTABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8/c1-2-9-15-33(14-8-1)26-29-24(32-18-16-31(17-19-32)23-12-6-7-13-27-23)22-20-28-34(25(22)30-26)21-10-4-3-5-11-21/h3-7,10-13,20H,1-2,8-9,14-19H2.
What are the key properties of 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine?
6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine has a molecular weight of 454.58 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-1-phenyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 661092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).