N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide

C26H36FN3O — CID 46073937

IUPACN-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CC1CN(Cc2cccn2C)CC1c1ccc(F)cc1)C(=O)C1CCCC1
InChIInChI=1S/C26H36FN3O/c1-19(2)30(26(31)21-7-4-5-8-21)16-22-15-29(17-24-9-6-14-28(24)3)18-25(22)20-10-12-23(27)13-11-20/h6,9-14,19,21-22,25H,4-5,7-8,15-18H2,1-3H3
InChIKeyXGCPNBZBOYFGSE-UHFFFAOYSA-N
MW425.59 g/mol
LogP4.81
Rot. Bonds7

About N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide

N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 46073937) has the molecular formula C26H36FN3O and a molecular weight of 425.59 g/mol. Its IUPAC name is N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID46073937
Molecular FormulaC26H36FN3O
Molecular Weight425.59 g/mol
Exact Mass425.28
IUPAC NameN-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CC1CN(Cc2cccn2C)CC1c1ccc(F)cc1)C(=O)C1CCCC1
InChIInChI=1S/C26H36FN3O/c1-19(2)30(26(31)21-7-4-5-8-21)16-22-15-29(17-24-9-6-14-28(24)3)18-25(22)20-10-12-23(27)13-11-20/h6,9-14,19,21-22,25H,4-5,7-8,15-18H2,1-3H3
InChIKeyXGCPNBZBOYFGSE-UHFFFAOYSA-N
XLogP4.81
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.59
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide 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-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide (CID 46073937) is N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide is CC(C)N(CC1CN(Cc2cccn2C)CC1c1ccc(F)cc1)C(=O)C1CCCC1.
What is the InChIKey of N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is XGCPNBZBOYFGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36FN3O/c1-19(2)30(26(31)21-7-4-5-8-21)16-22-15-29(17-24-9-6-14-28(24)3)18-25(22)20-10-12-23(27)13-11-20/h6,9-14,19,21-22,25H,4-5,7-8,15-18H2,1-3H3.
What are the key properties of N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 425.59 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-fluorophenyl)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]methyl]-N-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 46073937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).