6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine

C25H27N5 — CID 141446127

IUPAC6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CN3C=C(Cc4ccc(N5CCCC5)nc4)C=CC3)ccc12
InChIInChI=1S/C25H27N5/c26-25-23-7-5-21(15-22(23)9-10-27-25)18-29-11-3-4-20(17-29)14-19-6-8-24(28-16-19)30-12-1-2-13-30/h3-10,15-17H,1-2,11-14,18H2,(H2,26,27)
InChIKeyNUXQXUBGPOMIIY-UHFFFAOYSA-N
MW397.53 g/mol
LogP4.31
Rot. Bonds5

About 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine

6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine (PubChem CID 141446127) has the molecular formula C25H27N5 and a molecular weight of 397.53 g/mol. Its IUPAC name is 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine
PubChem CID141446127
Molecular FormulaC25H27N5
Molecular Weight397.53 g/mol
Exact Mass397.23
IUPAC Name6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine
SMILESNc1nccc2cc(CN3C=C(Cc4ccc(N5CCCC5)nc4)C=CC3)ccc12
InChIInChI=1S/C25H27N5/c26-25-23-7-5-21(15-22(23)9-10-27-25)18-29-11-3-4-20(17-29)14-19-6-8-24(28-16-19)30-12-1-2-13-30/h3-10,15-17H,1-2,11-14,18H2,(H2,26,27)
InChIKeyNUXQXUBGPOMIIY-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-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine with MolForge

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Related Compounds

6-[[5-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine
CID 141446109
[1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-3-(trifluoromethyl)pyrazol-4-yl] N-[(1-aminoisoquinolin-6-yl)methyl]carbamate
CID 129017374
6-[[4-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-1H-pyridazin-2-yl]methyl]isoquinolin-1-amine
CID 141446122
1-[(1-aminoisoquinolin-6-yl)methyl]piperazine-2-carbaldehyde
CID 174417678
N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 121366522
6-[[4-[(6-chloro-1-benzothiophen-2-yl)sulfonyl]piperazin-1-yl]methyl]isoquinolin-1-amine
CID 141012328
5-(isocyanomethyl)-2-pyrrolidin-1-ylpyridine
CID 83483400
5-(2-methylpropyl)-2-pyrrolidin-1-ylpyridine
CID 59000961
N-[(1-amino-5-methoxyisoquinolin-6-yl)methyl]-5-(methoxymethyl)-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-1,2,4-triazole-3-carboxamide
CID 121366568
(2R)-1-[methyl-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]amino]propan-2-ol
CID 99629566
6-[(benzylamino)methyl]isoquinolin-1-amine
CID 53322817
3-(1-aminoisoquinolin-6-yl)-1-[5-chloro-2-[(3-piperidin-1-ylphenyl)methylamino]-3-pyridinyl]propan-1-one
CID 167544750

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine (CID 141446127) is 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine is Nc1nccc2cc(CN3C=C(Cc4ccc(N5CCCC5)nc4)C=CC3)ccc12.
What is the InChIKey of 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
The InChIKey is NUXQXUBGPOMIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5/c26-25-23-7-5-21(15-22(23)9-10-27-25)18-29-11-3-4-20(17-29)14-19-6-8-24(28-16-19)30-12-1-2-13-30/h3-10,15-17H,1-2,11-14,18H2,(H2,26,27).
What are the key properties of 6-[[5-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine?
6-[[5-[(6-pyrrolidin-1-yl-3-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-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-2H-pyridin-1-yl]methyl]isoquinolin-1-amine is sourced from PubChem (CID 141446127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).