N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine

C22H25N5 — CID 129228924

IUPACN,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc2cc(-c3cnn(Cc4ccncc4)c3)ccc21
InChIInChI=1S/C22H25N5/c1-25(2)11-3-12-26-13-8-20-14-19(4-5-22(20)26)21-15-24-27(17-21)16-18-6-9-23-10-7-18/h4-10,13-15,17H,3,11-12,16H2,1-2H3
InChIKeyZLLQHCRFBDOCGT-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.90
Rot. Bonds7

About N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine

N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine (PubChem CID 129228924) has the molecular formula C22H25N5 and a molecular weight of 359.48 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine
PubChem CID129228924
Molecular FormulaC22H25N5
Molecular Weight359.48 g/mol
Exact Mass359.21
IUPAC NameN,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine
SMILESCN(C)CCCn1ccc2cc(-c3cnn(Cc4ccncc4)c3)ccc21
InChIInChI=1S/C22H25N5/c1-25(2)11-3-12-26-13-8-20-14-19(4-5-22(20)26)21-15-24-27(17-21)16-18-6-9-23-10-7-18/h4-10,13-15,17H,3,11-12,16H2,1-2H3
InChIKeyZLLQHCRFBDOCGT-UHFFFAOYSA-N
XLogP3.90
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine 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 N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine (CID 129228924) is N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine is CN(C)CCCn1ccc2cc(-c3cnn(Cc4ccncc4)c3)ccc21.
What is the InChIKey of N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine?
The InChIKey is ZLLQHCRFBDOCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5/c1-25(2)11-3-12-26-13-8-20-14-19(4-5-22(20)26)21-15-24-27(17-21)16-18-6-9-23-10-7-18/h4-10,13-15,17H,3,11-12,16H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine?
N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine has a molecular weight of 359.48 g/mol, XLogP of 3.90, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]indol-1-yl]propan-1-amine is sourced from PubChem (CID 129228924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).