3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea

C25H33ClN4O2 — CID 167456753

IUPAC3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea
SMILESCOc1cc(Cl)ncc1NC(=O)N(c1ccccc1C(C)C)C1CCN(C2CCC2)CC1
InChIInChI=1S/C25H33ClN4O2/c1-17(2)20-9-4-5-10-22(20)30(19-11-13-29(14-12-19)18-7-6-8-18)25(31)28-21-16-27-24(26)15-23(21)32-3/h4-5,9-10,15-19H,6-8,11-14H2,1-3H3,(H,28,31)
InChIKeyVASBVCNRFSDMII-UHFFFAOYSA-N
MW457.02 g/mol
LogP5.92
Rot. Bonds6

About 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea

3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea (PubChem CID 167456753) has the molecular formula C25H33ClN4O2 and a molecular weight of 457.02 g/mol. Its IUPAC name is 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea
PubChem CID167456753
Molecular FormulaC25H33ClN4O2
Molecular Weight457.02 g/mol
Exact Mass456.23
IUPAC Name3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea
SMILESCOc1cc(Cl)ncc1NC(=O)N(c1ccccc1C(C)C)C1CCN(C2CCC2)CC1
InChIInChI=1S/C25H33ClN4O2/c1-17(2)20-9-4-5-10-22(20)30(19-11-13-29(14-12-19)18-7-6-8-18)25(31)28-21-16-27-24(26)15-23(21)32-3/h4-5,9-10,15-19H,6-8,11-14H2,1-3H3,(H,28,31)
InChIKeyVASBVCNRFSDMII-UHFFFAOYSA-N
XLogP5.92
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.02
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea 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

1-(1-acetylpiperidin-4-yl)-3-[4-[(2S)-1-methoxypropan-2-yl]oxy-6-methyl-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea
CID 167456857
3-[4-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-[1-(3-methyloxetan-3-yl)piperidin-4-yl]-1-(2-propan-2-ylphenyl)urea;methane
CID 167456973
1-(1-acetylpiperidin-4-yl)-3-(3-bromo-5-chloro-2-pyridinyl)-1-(2-propan-2-ylphenyl)urea
CID 167457117
methyl 2-[[(1-acetylpiperidin-4-yl)-(2-propan-2-ylphenyl)carbamoyl]amino]-5-bromopyridine-3-carboxylate
CID 167456887
N-(6-chloro-4-methoxy-3-pyridinyl)-3,3-dimethyl-1-(2-propan-2-ylphenyl)cyclobutane-1-carboxamide
CID 167456287
1-(1-acetylpiperidin-4-yl)-3-(6-isocyano-2-methoxy-3-pyridinyl)-1-(2-propan-2-ylphenyl)urea
CID 176611237
1-cyclohexyl-3-[2-(difluoromethoxy)-6-methoxy-3-pyridinyl]-1-(2-propan-2-ylphenyl)urea;N-hydroxyformamide
CID 167456464
1-(1-acetylazetidin-3-yl)-3-[5-chloro-3-(difluoromethoxy)-2-pyridinyl]-1-(2-propan-2-ylphenyl)urea
CID 167456656
3-[2-(difluoromethoxy)-6-methyl-3-pyridinyl]-1-(1-methylsulfonylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea
CID 171569522
N-(6-chloro-4-methoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)-1-[2-(sulfamoylamino)ethyl]azetidine-3-carboxamide
CID 155743611
methyl 4-[3-[(6-chloro-4-methoxy-3-pyridinyl)carbamoyl]-3-(2-propan-2-ylphenyl)azetidin-1-yl]-2,2-dimethylbutanoate
CID 155743614
N-(6-chloro-4-methoxy-3-pyridinyl)-1-(2-hydroxy-3,4-dioxocyclobuten-1-yl)-3-(2-propan-2-ylphenyl)azetidine-3-carboxamide
CID 155413280

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea?
The IUPAC name of 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea (CID 167456753) is 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea.
What is the SMILES notation for 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea?
The canonical SMILES for 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea is COc1cc(Cl)ncc1NC(=O)N(c1ccccc1C(C)C)C1CCN(C2CCC2)CC1.
What is the InChIKey of 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea?
The InChIKey is VASBVCNRFSDMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33ClN4O2/c1-17(2)20-9-4-5-10-22(20)30(19-11-13-29(14-12-19)18-7-6-8-18)25(31)28-21-16-27-24(26)15-23(21)32-3/h4-5,9-10,15-19H,6-8,11-14H2,1-3H3,(H,28,31).
What are the key properties of 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea?
3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea has a molecular weight of 457.02 g/mol, XLogP of 5.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-4-methoxy-3-pyridinyl)-1-(1-cyclobutylpiperidin-4-yl)-1-(2-propan-2-ylphenyl)urea is sourced from PubChem (CID 167456753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).