1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea

C24H23ClF2N4O — CID 20782207

IUPAC1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H23ClF2N4O/c1-30(22-8-10-31(11-9-22)23-7-4-18(25)15-28-23)24(32)29-21-5-2-16(3-6-21)17-12-19(26)14-20(27)13-17/h2-7,12-15,22H,8-11H2,1H3,(H,29,32)
InChIKeyQDNZOKNQJZBWBB-UHFFFAOYSA-N
MW456.92 g/mol
LogP5.81
Rot. Bonds4

About 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea

1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea (PubChem CID 20782207) has the molecular formula C24H23ClF2N4O and a molecular weight of 456.92 g/mol. Its IUPAC name is 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea.

Molecular Properties

Compound Name1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
PubChem CID20782207
Molecular FormulaC24H23ClF2N4O
Molecular Weight456.92 g/mol
Exact Mass456.15
IUPAC Name1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea
SMILESCN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C24H23ClF2N4O/c1-30(22-8-10-31(11-9-22)23-7-4-18(25)15-28-23)24(32)29-21-5-2-16(3-6-21)17-12-19(26)14-20(27)13-17/h2-7,12-15,22H,8-11H2,1H3,(H,29,32)
InChIKeyQDNZOKNQJZBWBB-UHFFFAOYSA-N
XLogP5.81
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.92
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-tert-Butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide
CID 9929425
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
Bisanilinopyrimidine, 9k
CID 70702158
Thiourea, N-(5-chloro-2-pyridinyl)-N'-(2-(4-(dimethylamino)-2,6-difluorophenyl)ethyl)-
CID 3001133
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)isobutyramide
CID 24857903
Cdk9-IN-2
CID 49855228
1-(5-Chloropyridin-2-yl)-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 469199
1-(5-chloro-2-pyridyl)-3-[(1R,2R)-2-(2,6-difluorophenyl)cyclopropyl]urea
CID 469281
N-(4-methylphenyl)-4-[3-(trifluoromethyl)pyridin-2-yl]tetrahydropyrazine-1(2H)-carboxamide
CID 2741741
5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683
N-(1-(6-(3-chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)piperidin-4-yl)propionamide
CID 44576717
1-[4-[(4-Ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-[6-(methylamino)-3-pyridinyl]phenyl]urea
CID 145976371

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea?
The IUPAC name of 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea (CID 20782207) is 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea.
What is the SMILES notation for 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea?
The canonical SMILES for 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea is CN(C(=O)Nc1ccc(-c2cc(F)cc(F)c2)cc1)C1CCN(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea?
The InChIKey is QDNZOKNQJZBWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N4O/c1-30(22-8-10-31(11-9-22)23-7-4-18(25)15-28-23)24(32)29-21-5-2-16(3-6-21)17-12-19(26)14-20(27)13-17/h2-7,12-15,22H,8-11H2,1H3,(H,29,32).
What are the key properties of 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea?
1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea has a molecular weight of 456.92 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-3-[4-(3,5-difluorophenyl)phenyl]-1-methylurea is sourced from PubChem (CID 20782207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).