piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine

C19H21N5 — CID 145324073

IUPACpiperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine
SMILES[H]/N=C(/c1ccc(Cn2ncc3cnccc32)cc1)N1CCCCC1
InChIInChI=1S/C19H21N5/c20-19(23-10-2-1-3-11-23)16-6-4-15(5-7-16)14-24-18-8-9-21-12-17(18)13-22-24/h4-9,12-13,20H,1-3,10-11,14H2/b20-19-
InChIKeyJWTIXRAHFAAKLW-VXPUYCOJSA-N
MW319.41 g/mol
LogP3.29
Rot. Bonds3

About piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine

piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine (PubChem CID 145324073) has the molecular formula C19H21N5 and a molecular weight of 319.41 g/mol. Its IUPAC name is piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine.

Molecular Properties

Compound Namepiperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine
PubChem CID145324073
Molecular FormulaC19H21N5
Molecular Weight319.41 g/mol
Exact Mass319.18
IUPAC Namepiperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine
SMILES[H]/N=C(/c1ccc(Cn2ncc3cnccc32)cc1)N1CCCCC1
InChIInChI=1S/C19H21N5/c20-19(23-10-2-1-3-11-23)16-6-4-15(5-7-16)14-24-18-8-9-21-12-17(18)13-22-24/h4-9,12-13,20H,1-3,10-11,14H2/b20-19-
InChIKeyJWTIXRAHFAAKLW-VXPUYCOJSA-N
XLogP3.29
TPSA57.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine 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 piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine?
The IUPAC name of piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine (CID 145324073) is piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine.
What is the SMILES notation for piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine?
The canonical SMILES for piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine is [H]/N=C(/c1ccc(Cn2ncc3cnccc32)cc1)N1CCCCC1.
What is the InChIKey of piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine?
The InChIKey is JWTIXRAHFAAKLW-VXPUYCOJSA-N. The full InChI is InChI=1S/C19H21N5/c20-19(23-10-2-1-3-11-23)16-6-4-15(5-7-16)14-24-18-8-9-21-12-17(18)13-22-24/h4-9,12-13,20H,1-3,10-11,14H2/b20-19-.
What are the key properties of piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine?
piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine has a molecular weight of 319.41 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for piperidin-1-yl-[4-(pyrazolo[4,5-c]pyridin-1-ylmethyl)phenyl]methanimine is sourced from PubChem (CID 145324073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).