1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea

C41H32N8O2 — CID 123729233

IUPAC1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea
SMILESCc1ccc(NC(=O)Nc2cc(-c3ncc(NC(=O)Nc4ccccc4-c4ccccc4)c(-c4ccccc4)n3)ccn2)c(-c2ccccc2)n1
InChIInChI=1S/C41H32N8O2/c1-27-21-22-34(37(44-27)29-15-7-3-8-16-29)46-41(51)48-36-25-31(23-24-42-36)39-43-26-35(38(49-39)30-17-9-4-10-18-30)47-40(50)45-33-20-12-11-19-32(33)28-13-5-2-6-14-28/h2-26H,1H3,(H2,45,47,50)(H2,42,46,48,51)
InChIKeyRKWAJDBQCUKNEI-UHFFFAOYSA-N
MW668.76 g/mol
LogP9.53
Rot. Bonds8

About 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea

1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea (PubChem CID 123729233) has the molecular formula C41H32N8O2 and a molecular weight of 668.76 g/mol. Its IUPAC name is 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea.

Molecular Properties

Compound Name1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea
PubChem CID123729233
Molecular FormulaC41H32N8O2
Molecular Weight668.76 g/mol
Exact Mass668.26
IUPAC Name1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea
SMILESCc1ccc(NC(=O)Nc2cc(-c3ncc(NC(=O)Nc4ccccc4-c4ccccc4)c(-c4ccccc4)n3)ccn2)c(-c2ccccc2)n1
InChIInChI=1S/C41H32N8O2/c1-27-21-22-34(37(44-27)29-15-7-3-8-16-29)46-41(51)48-36-25-31(23-24-42-36)39-43-26-35(38(49-39)30-17-9-4-10-18-30)47-40(50)45-33-20-12-11-19-32(33)28-13-5-2-6-14-28/h2-26H,1H3,(H2,45,47,50)(H2,42,46,48,51)
InChIKeyRKWAJDBQCUKNEI-UHFFFAOYSA-N
XLogP9.53
TPSA133.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.76
LogP ≤ 59.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]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-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea?
The IUPAC name of 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea (CID 123729233) is 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea.
What is the SMILES notation for 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea?
The canonical SMILES for 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea is Cc1ccc(NC(=O)Nc2cc(-c3ncc(NC(=O)Nc4ccccc4-c4ccccc4)c(-c4ccccc4)n3)ccn2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea?
The InChIKey is RKWAJDBQCUKNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32N8O2/c1-27-21-22-34(37(44-27)29-15-7-3-8-16-29)46-41(51)48-36-25-31(23-24-42-36)39-43-26-35(38(49-39)30-17-9-4-10-18-30)47-40(50)45-33-20-12-11-19-32(33)28-13-5-2-6-14-28/h2-26H,1H3,(H2,45,47,50)(H2,42,46,48,51).
What are the key properties of 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea?
1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea has a molecular weight of 668.76 g/mol, XLogP of 9.53, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-phenyl-3-pyridinyl)-3-[4-[4-phenyl-5-[(2-phenylphenyl)carbamoylamino]pyrimidin-2-yl]-2-pyridinyl]urea is sourced from PubChem (CID 123729233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).