6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine

C25H27N5 — CID 141446109

IUPAC6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CN3C=C(Cc4ccnc(N5CCCC5)c4)C=CC3)ccc12
InChIInChI=1S/C25H27N5/c26-25-23-6-5-21(15-22(23)8-10-28-25)18-29-11-3-4-20(17-29)14-19-7-9-27-24(16-19)30-12-1-2-13-30/h3-10,15-17H,1-2,11-14,18H2,(H2,26,28)
InChIKeyWQQVEVPVVLJQBP-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.31
Rot. Bonds5

About 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine

6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine (PubChem CID 141446109) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine
PubChem CID141446109
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CN3C=C(Cc4ccnc(N5CCCC5)c4)C=CC3)ccc12
InChIInChI=1S/C25H27N5/c26-25-23-6-5-21(15-22(23)8-10-28-25)18-29-11-3-4-20(17-29)14-19-7-9-27-24(16-19)30-12-1-2-13-30/h3-10,15-17H,1-2,11-14,18H2,(H2,26,28)
InChIKeyWQQVEVPVVLJQBP-UHFFFAOYSA-N
XLogP4.31
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-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 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine (CID 141446109) is 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine is Nc1nccc2cc(CN3C=C(Cc4ccnc(N5CCCC5)c4)C=CC3)ccc12.
What is the InChIKey of 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
The InChIKey is WQQVEVPVVLJQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c26-25-23-6-5-21(15-22(23)8-10-28-25)18-29-11-3-4-20(17-29)14-19-7-9-27-24(16-19)30-12-1-2-13-30/h3-10,15-17H,1-2,11-14,18H2,(H2,26,28).
What are the key properties of 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine has a molecular weight of 397.53 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine is sourced from PubChem (CID 141446109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).