N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide

C24H27N5O2 — CID 45267516

IUPACN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCN(c4ccncc4)CC3)c21
InChIInChI=1S/C24H27N5O2/c30-23(16-7-13-29(14-8-16)18-4-9-25-10-5-18)26-11-3-17-15-28-21-2-1-20-19(22(17)21)6-12-27-24(20)31/h1-2,4-5,9-10,15-16,28H,3,6-8,11-14H2,(H,26,30)(H,27,31)
InChIKeyMVDBPUILKIQRDV-UHFFFAOYSA-N
MW417.51 g/mol
LogP2.42
Rot. Bonds5

About N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide

N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide (PubChem CID 45267516) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide
PubChem CID45267516
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide
SMILESO=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCN(c4ccncc4)CC3)c21
InChIInChI=1S/C24H27N5O2/c30-23(16-7-13-29(14-8-16)18-4-9-25-10-5-18)26-11-3-17-15-28-21-2-1-20-19(22(17)21)6-12-27-24(20)31/h1-2,4-5,9-10,15-16,28H,3,6-8,11-14H2,(H,26,30)(H,27,31)
InChIKeyMVDBPUILKIQRDV-UHFFFAOYSA-N
XLogP2.42
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide 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-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The IUPAC name of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide (CID 45267516) is N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The canonical SMILES for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide is O=C1NCCc2c1ccc1[nH]cc(CCNC(=O)C3CCN(c4ccncc4)CC3)c21.
What is the InChIKey of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
The InChIKey is MVDBPUILKIQRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c30-23(16-7-13-29(14-8-16)18-4-9-25-10-5-18)26-11-3-17-15-28-21-2-1-20-19(22(17)21)6-12-27-24(20)31/h1-2,4-5,9-10,15-16,28H,3,6-8,11-14H2,(H,26,30)(H,27,31).
What are the key properties of N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide?
N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide has a molecular weight of 417.51 g/mol, XLogP of 2.42, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3,7,8,9-tetrahydropyrrolo[3,2-f]isoquinolin-1-yl)ethyl]-1-pyridin-4-ylpiperidine-4-carboxamide is sourced from PubChem (CID 45267516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).