1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

C18H17Cl2N5O2 — CID 71883199

IUPAC1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cn1
InChIInChI=1S/C18H17Cl2N5O2/c1-24-9-13(8-22-24)7-21-18(27)23-14-3-5-17(26)25(11-14)10-12-2-4-15(19)16(20)6-12/h2-6,8-9,11H,7,10H2,1H3,(H2,21,23,27)
InChIKeyLFEFMDAQRXVPDI-UHFFFAOYSA-N
MW406.27 g/mol
LogP3.26
Rot. Bonds5

About 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea

1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 71883199) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID71883199
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC Name1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cn1
InChIInChI=1S/C18H17Cl2N5O2/c1-24-9-13(8-22-24)7-21-18(27)23-14-3-5-17(26)25(11-14)10-12-2-4-15(19)16(20)6-12/h2-6,8-9,11H,7,10H2,1H3,(H2,21,23,27)
InChIKeyLFEFMDAQRXVPDI-UHFFFAOYSA-N
XLogP3.26
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea 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 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 71883199) is 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)Nc2ccc(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cn1.
What is the InChIKey of 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is LFEFMDAQRXVPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c1-24-9-13(8-22-24)7-21-18(27)23-14-3-5-17(26)25(11-14)10-12-2-4-15(19)16(20)6-12/h2-6,8-9,11H,7,10H2,1H3,(H2,21,23,27).
What are the key properties of 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 406.27 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3,4-dichlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 71883199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).