4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile

C26H28N8 — CID 142464347

IUPAC4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6ccc(C#N)cc56)cnn4c3)CC2)CC1
InChIInChI=1S/C26H28N8/c1-31-10-12-33(13-11-31)20-5-8-32(9-6-20)21-16-29-26-24(17-30-34(26)18-21)22-4-7-28-25-3-2-19(15-27)14-23(22)25/h2-4,7,14,16-18,20H,5-6,8-13H2,1H3
InChIKeyDPOCJADDISJIGW-UHFFFAOYSA-N
MW452.57 g/mol
LogP3.03
Rot. Bonds3

About 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile

4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile (PubChem CID 142464347) has the molecular formula C26H28N8 and a molecular weight of 452.57 g/mol. Its IUPAC name is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile.

Molecular Properties

Compound Name4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile
PubChem CID142464347
Molecular FormulaC26H28N8
Molecular Weight452.57 g/mol
Exact Mass452.24
IUPAC Name4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile
SMILESCN1CCN(C2CCN(c3cnc4c(-c5ccnc6ccc(C#N)cc56)cnn4c3)CC2)CC1
InChIInChI=1S/C26H28N8/c1-31-10-12-33(13-11-31)20-5-8-32(9-6-20)21-16-29-26-24(17-30-34(26)18-21)22-4-7-28-25-3-2-19(15-27)14-23(22)25/h2-4,7,14,16-18,20H,5-6,8-13H2,1H3
InChIKeyDPOCJADDISJIGW-UHFFFAOYSA-N
XLogP3.03
TPSA76.59 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.57
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile 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 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile?
The IUPAC name of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile (CID 142464347) is 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile.
What is the SMILES notation for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile?
The canonical SMILES for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile is CN1CCN(C2CCN(c3cnc4c(-c5ccnc6ccc(C#N)cc56)cnn4c3)CC2)CC1.
What is the InChIKey of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile?
The InChIKey is DPOCJADDISJIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N8/c1-31-10-12-33(13-11-31)20-5-8-32(9-6-20)21-16-29-26-24(17-30-34(26)18-21)22-4-7-28-25-3-2-19(15-27)14-23(22)25/h2-4,7,14,16-18,20H,5-6,8-13H2,1H3.
What are the key properties of 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile?
4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile has a molecular weight of 452.57 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline-6-carbonitrile is sourced from PubChem (CID 142464347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).