5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C25H26N8 — CID 166529662

IUPAC5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NCC3CCNCC3)nc12
InChIInChI=1S/C25H26N8/c26-14-21-17-31-33-24(13-23(32-25(21)33)29-15-19-8-11-27-12-9-19)30-16-18-4-6-20(7-5-18)22-3-1-2-10-28-22/h1-7,10,13,17,19,27,30H,8-9,11-12,15-16H2,(H,29,32)
InChIKeyPSKPBRCLSFGNAF-UHFFFAOYSA-N
MW438.54 g/mol
LogP3.69
Rot. Bonds7

About 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 166529662) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID166529662
Molecular FormulaC25H26N8
Molecular Weight438.54 g/mol
Exact Mass438.23
IUPAC Name5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESN#Cc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NCC3CCNCC3)nc12
InChIInChI=1S/C25H26N8/c26-14-21-17-31-33-24(13-23(32-25(21)33)29-15-19-8-11-27-12-9-19)30-16-18-4-6-20(7-5-18)22-3-1-2-10-28-22/h1-7,10,13,17,19,27,30H,8-9,11-12,15-16H2,(H,29,32)
InChIKeyPSKPBRCLSFGNAF-UHFFFAOYSA-N
XLogP3.69
TPSA102.96 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-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 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 166529662) is 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is N#Cc1cnn2c(NCc3ccc(-c4ccccn4)cc3)cc(NCC3CCNCC3)nc12.
What is the InChIKey of 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is PSKPBRCLSFGNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c26-14-21-17-31-33-24(13-23(32-25(21)33)29-15-19-8-11-27-12-9-19)30-16-18-4-6-20(7-5-18)22-3-1-2-10-28-22/h1-7,10,13,17,19,27,30H,8-9,11-12,15-16H2,(H,29,32).
What are the key properties of 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 438.54 g/mol, XLogP of 3.69, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-4-ylmethylamino)-7-[(4-pyridin-2-ylphenyl)methylamino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 166529662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).