1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea

C18H18Cl2N6O — CID 164608769

IUPAC1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C18H18Cl2N6O/c1-10-4-13(21-8-14(10)15-9-26(3)25-11(15)2)7-22-18(27)23-12-5-16(19)24-17(20)6-12/h4-6,8-9H,7H2,1-3H3,(H2,22,23,24,27)
InChIKeyUVMBQPYBPGOJBF-UHFFFAOYSA-N
MW405.29 g/mol
LogP4.12
Rot. Bonds4

About 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea

1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea (PubChem CID 164608769) has the molecular formula C18H18Cl2N6O and a molecular weight of 405.29 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
PubChem CID164608769
Molecular FormulaC18H18Cl2N6O
Molecular Weight405.29 g/mol
Exact Mass404.09
IUPAC Name1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
SMILESCc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C
InChIInChI=1S/C18H18Cl2N6O/c1-10-4-13(21-8-14(10)15-9-26(3)25-11(15)2)7-22-18(27)23-12-5-16(19)24-17(20)6-12/h4-6,8-9H,7H2,1-3H3,(H2,22,23,24,27)
InChIKeyUVMBQPYBPGOJBF-UHFFFAOYSA-N
XLogP4.12
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea with MolForge

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Related Compounds

Arylpyrazole, 28
CID 44143428
Arylpyrazole, 20
CID 44143420
ORL1 antagonist 1
CID 44143417
Arylpyrazole, 18
CID 44143418
Arylpyrazole, 19
CID 44143419
Arylpyrazole, 22
CID 44143422
Arylpyrazole, 26
CID 44143426
Arylpyrazole, 27
CID 44143427
Arylpyrazole, 30
CID 44143430
1-(2,6-Dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]amino]urea
CID 164616769
1-(3,5-Dichlorophenyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea
CID 164623189
1-Benzyl-3-[7-(1-methylpyrazol-4-yl)-1,5-naphthyridin-4-yl]urea
CID 53236674

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
The IUPAC name of 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea (CID 164608769) is 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea is Cc1cc(CNC(=O)Nc2cc(Cl)nc(Cl)c2)ncc1-c1cn(C)nc1C.
What is the InChIKey of 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
The InChIKey is UVMBQPYBPGOJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N6O/c1-10-4-13(21-8-14(10)15-9-26(3)25-11(15)2)7-22-18(27)23-12-5-16(19)24-17(20)6-12/h4-6,8-9H,7H2,1-3H3,(H2,22,23,24,27).
What are the key properties of 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea?
1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea has a molecular weight of 405.29 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-pyridinyl)-3-[[5-(1,3-dimethylpyrazol-4-yl)-4-methyl-2-pyridinyl]methyl]urea is sourced from PubChem (CID 164608769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).