1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea

C31H23ClN6O2 — CID 123534368

IUPAC1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(Oc3ccnc(Cl)n3)c3ccccc23)cc1
InChIInChI=1S/C31H23ClN6O2/c1-20-11-13-22(14-12-20)38-28(19-26(37-38)21-7-3-2-4-8-21)35-31(39)34-25-15-16-27(24-10-6-5-9-23(24)25)40-29-17-18-33-30(32)36-29/h2-19H,1H3,(H2,34,35,39)
InChIKeyUCWZSOVYCVQLKQ-UHFFFAOYSA-N
MW547.02 g/mol
LogP7.88
Rot. Bonds6

About 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea

1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea (PubChem CID 123534368) has the molecular formula C31H23ClN6O2 and a molecular weight of 547.02 g/mol. Its IUPAC name is 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea.

Molecular Properties

Compound Name1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea
PubChem CID123534368
Molecular FormulaC31H23ClN6O2
Molecular Weight547.02 g/mol
Exact Mass546.16
IUPAC Name1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea
SMILESCc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(Oc3ccnc(Cl)n3)c3ccccc23)cc1
InChIInChI=1S/C31H23ClN6O2/c1-20-11-13-22(14-12-20)38-28(19-26(37-38)21-7-3-2-4-8-21)35-31(39)34-25-15-16-27(24-10-6-5-9-23(24)25)40-29-17-18-33-30(32)36-29/h2-19H,1H3,(H2,34,35,39)
InChIKeyUCWZSOVYCVQLKQ-UHFFFAOYSA-N
XLogP7.88
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500547.02
LogP ≤ 57.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]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-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-trimethylsilylpyrazol-5-yl]urea
CID 90002041
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]urea;deuterio(iodo)methane
CID 158358605
1-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 123314936
1-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(2-methylanilino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 130315348
1-[3-hydroxy-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 137301436
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
CID 46198208
2-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]-N-cyclopropylacetamide
CID 58564824
N-[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]morpholine-4-carboxamide
CID 46233982
[5-[[4-[4-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxypyrimidin-2-yl]amino]-1,2-benzoxazol-3-yl]carbamic acid
CID 118235997
1-[3-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[2-(cyclopropylcarbamoylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]urea
CID 134427037
N-[2-(dimethylamino)ethyl]-3-[[3-ethyl-4-[4-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]amino]-4-methoxybenzamide
CID 123342908
2-methoxy-N-[4-[4-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoylamino]naphthalen-1-yl]oxy-2-pyridinyl]acetamide
CID 71260881

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea?
The IUPAC name of 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea (CID 123534368) is 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea.
What is the SMILES notation for 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea?
The canonical SMILES for 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea is Cc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)Nc2ccc(Oc3ccnc(Cl)n3)c3ccccc23)cc1.
What is the InChIKey of 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea?
The InChIKey is UCWZSOVYCVQLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23ClN6O2/c1-20-11-13-22(14-12-20)38-28(19-26(37-38)21-7-3-2-4-8-21)35-31(39)34-25-15-16-27(24-10-6-5-9-23(24)25)40-29-17-18-33-30(32)36-29/h2-19H,1H3,(H2,34,35,39).
What are the key properties of 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea?
1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea has a molecular weight of 547.02 g/mol, XLogP of 7.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloropyrimidin-4-yl)oxynaphthalen-1-yl]-3-[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]urea is sourced from PubChem (CID 123534368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).