4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C29H31ClF2N4O — CID 91596372

IUPAC4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NCc3ccc(F)cc3F)c(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1
InChIInChI=1S/C29H31ClF2N4O/c1-19-10-14-36(15-11-19)28-34-18-24(27(37)33-17-20-4-9-23(31)16-25(20)32)26(35-28)29(12-2-3-13-29)21-5-7-22(30)8-6-21/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,33,37)
InChIKeyHULZWWAQJKZEFU-UHFFFAOYSA-N
MW525.04 g/mol
LogP6.43
Rot. Bonds6

About 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide

4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 91596372) has the molecular formula C29H31ClF2N4O and a molecular weight of 525.04 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID91596372
Molecular FormulaC29H31ClF2N4O
Molecular Weight525.04 g/mol
Exact Mass524.22
IUPAC Name4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCC1CCN(c2ncc(C(=O)NCc3ccc(F)cc3F)c(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1
InChIInChI=1S/C29H31ClF2N4O/c1-19-10-14-36(15-11-19)28-34-18-24(27(37)33-17-20-4-9-23(31)16-25(20)32)26(35-28)29(12-2-3-13-29)21-5-7-22(30)8-6-21/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,33,37)
InChIKeyHULZWWAQJKZEFU-UHFFFAOYSA-N
XLogP6.43
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.04
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-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 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 91596372) is 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CC1CCN(c2ncc(C(=O)NCc3ccc(F)cc3F)c(C3(c4ccc(Cl)cc4)CCCC3)n2)CC1.
What is the InChIKey of 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is HULZWWAQJKZEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClF2N4O/c1-19-10-14-36(15-11-19)28-34-18-24(27(37)33-17-20-4-9-23(31)16-25(20)32)26(35-28)29(12-2-3-13-29)21-5-7-22(30)8-6-21/h4-9,16,18-19H,2-3,10-15,17H2,1H3,(H,33,37).
What are the key properties of 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 525.04 g/mol, XLogP of 6.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)cyclopentyl]-N-[(2,4-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 91596372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).