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

C27H27ClN4O2 — CID 67777140

IUPAC1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)C)n4)ncc3Cl)c(=O)c2C)c1
InChIInChI=1S/C27H27ClN4O2/c1-16(2)26-29-10-9-22(31-26)23-13-24(21(28)14-30-23)32-18(4)12-25(19(5)27(32)33)34-15-20-8-6-7-17(3)11-20/h6-14,16H,15H2,1-5H3
InChIKeyGLGWFVGXBWERBI-UHFFFAOYSA-N
MW474.99 g/mol
LogP5.97
Rot. Bonds6

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

1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one (PubChem CID 67777140) has the molecular formula C27H27ClN4O2 and a molecular weight of 474.99 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
PubChem CID67777140
Molecular FormulaC27H27ClN4O2
Molecular Weight474.99 g/mol
Exact Mass474.18
IUPAC Name1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)C)n4)ncc3Cl)c(=O)c2C)c1
InChIInChI=1S/C27H27ClN4O2/c1-16(2)26-29-10-9-22(31-26)23-13-24(21(28)14-30-23)32-18(4)12-25(19(5)27(32)33)34-15-20-8-6-7-17(3)11-20/h6-14,16H,15H2,1-5H3
InChIKeyGLGWFVGXBWERBI-UHFFFAOYSA-N
XLogP5.97
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.99
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The IUPAC name of 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one (CID 67777140) is 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one.
What is the SMILES notation for 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The canonical SMILES for 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one is Cc1cccc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)C)n4)ncc3Cl)c(=O)c2C)c1.
What is the InChIKey of 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The InChIKey is GLGWFVGXBWERBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN4O2/c1-16(2)26-29-10-9-22(31-26)23-13-24(21(28)14-30-23)32-18(4)12-25(19(5)27(32)33)34-15-20-8-6-7-17(3)11-20/h6-14,16H,15H2,1-5H3.
What are the key properties of 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one has a molecular weight of 474.99 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 67777140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).