N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide

C34H45N5O3 — CID 70802091

IUPACN-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCC1C2CC(C3C(=O)N(CC4C[C@@H]4CN4CCC(c5c[nH]c6ccccc56)CC4)C(=O)C23)C1N(C)C(=O)N1CCCC1
InChIInChI=1S/C34H45N5O3/c1-20-25-16-26(31(20)36(2)34(42)38-11-5-6-12-38)30-29(25)32(40)39(33(30)41)19-23-15-22(23)18-37-13-9-21(10-14-37)27-17-35-28-8-4-3-7-24(27)28/h3-4,7-8,17,20-23,25-26,29-31,35H,5-6,9-16,18-19H2,1-2H3/t20?,22-,23?,25?,26?,29?,30?,31?/m1/s1
InChIKeyWBEXKOMKZBIIDP-CHADNLIESA-N
MW571.77 g/mol
LogP4.39
Rot. Bonds6

About N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide

N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide (PubChem CID 70802091) has the molecular formula C34H45N5O3 and a molecular weight of 571.77 g/mol. Its IUPAC name is N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide
PubChem CID70802091
Molecular FormulaC34H45N5O3
Molecular Weight571.77 g/mol
Exact Mass571.35
IUPAC NameN-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide
SMILESCC1C2CC(C3C(=O)N(CC4C[C@@H]4CN4CCC(c5c[nH]c6ccccc56)CC4)C(=O)C23)C1N(C)C(=O)N1CCCC1
InChIInChI=1S/C34H45N5O3/c1-20-25-16-26(31(20)36(2)34(42)38-11-5-6-12-38)30-29(25)32(40)39(33(30)41)19-23-15-22(23)18-37-13-9-21(10-14-37)27-17-35-28-8-4-3-7-24(27)28/h3-4,7-8,17,20-23,25-26,29-31,35H,5-6,9-16,18-19H2,1-2H3/t20?,22-,23?,25?,26?,29?,30?,31?/m1/s1
InChIKeyWBEXKOMKZBIIDP-CHADNLIESA-N
XLogP4.39
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500571.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-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-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide (CID 70802091) is N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide is CC1C2CC(C3C(=O)N(CC4C[C@@H]4CN4CCC(c5c[nH]c6ccccc56)CC4)C(=O)C23)C1N(C)C(=O)N1CCCC1.
What is the InChIKey of N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide?
The InChIKey is WBEXKOMKZBIIDP-CHADNLIESA-N. The full InChI is InChI=1S/C34H45N5O3/c1-20-25-16-26(31(20)36(2)34(42)38-11-5-6-12-38)30-29(25)32(40)39(33(30)41)19-23-15-22(23)18-37-13-9-21(10-14-37)27-17-35-28-8-4-3-7-24(27)28/h3-4,7-8,17,20-23,25-26,29-31,35H,5-6,9-16,18-19H2,1-2H3/t20?,22-,23?,25?,26?,29?,30?,31?/m1/s1.
What are the key properties of N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide?
N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide has a molecular weight of 571.77 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(2S)-2-[[4-(1H-indol-3-yl)piperidin-1-yl]methyl]cyclopropyl]methyl]-9-methyl-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-8-yl]-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 70802091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).