3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one

C27H26Cl2N4O2 — CID 67777466

IUPAC3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2cc(C)n(-c3cc(-c4nc(C(C)C)ncc4C)ncc3Cl)c(=O)c2Cl)c1
InChIInChI=1S/C27H26Cl2N4O2/c1-15(2)26-31-12-17(4)25(32-26)21-11-22(20(28)13-30-21)33-18(5)10-23(24(29)27(33)34)35-14-19-8-6-7-16(3)9-19/h6-13,15H,14H2,1-5H3
InChIKeyZDNWMUYSCGPOKP-UHFFFAOYSA-N
MW509.44 g/mol
LogP6.62
Rot. Bonds6

About 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one

3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one (PubChem CID 67777466) has the molecular formula C27H26Cl2N4O2 and a molecular weight of 509.44 g/mol. Its IUPAC name is 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
PubChem CID67777466
Molecular FormulaC27H26Cl2N4O2
Molecular Weight509.44 g/mol
Exact Mass508.14
IUPAC Name3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2cc(C)n(-c3cc(-c4nc(C(C)C)ncc4C)ncc3Cl)c(=O)c2Cl)c1
InChIInChI=1S/C27H26Cl2N4O2/c1-15(2)26-31-12-17(4)25(32-26)21-11-22(20(28)13-30-21)33-18(5)10-23(24(29)27(33)34)35-14-19-8-6-7-16(3)9-19/h6-13,15H,14H2,1-5H3
InChIKeyZDNWMUYSCGPOKP-UHFFFAOYSA-N
XLogP6.62
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.44
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one 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 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The IUPAC name of 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one (CID 67777466) is 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one is Cc1cccc(COc2cc(C)n(-c3cc(-c4nc(C(C)C)ncc4C)ncc3Cl)c(=O)c2Cl)c1.
What is the InChIKey of 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The InChIKey is ZDNWMUYSCGPOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O2/c1-15(2)26-31-12-17(4)25(32-26)21-11-22(20(28)13-30-21)33-18(5)10-23(24(29)27(33)34)35-14-19-8-6-7-16(3)9-19/h6-13,15H,14H2,1-5H3.
What are the key properties of 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one has a molecular weight of 509.44 g/mol, XLogP of 6.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-6-methyl-4-[(3-methylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 67777466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).