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

C28H29ClN4O2 — CID 67777458

IUPAC1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2cc(C)n(-c3cc(-c4nc(C(C)C)ncc4C)ncc3Cl)c(=O)c2C)c1
InChIInChI=1S/C28H29ClN4O2/c1-16(2)27-31-13-18(4)26(32-27)23-12-24(22(29)14-30-23)33-19(5)11-25(20(6)28(33)34)35-15-21-9-7-8-17(3)10-21/h7-14,16H,15H2,1-6H3
InChIKeyUTQCQUQYNUXMBM-UHFFFAOYSA-N
MW489.02 g/mol
LogP6.28
Rot. Bonds6

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

1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one (PubChem CID 67777458) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is 1-[5-chloro-2-(5-methyl-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-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
PubChem CID67777458
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC Name1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one
SMILESCc1cccc(COc2cc(C)n(-c3cc(-c4nc(C(C)C)ncc4C)ncc3Cl)c(=O)c2C)c1
InChIInChI=1S/C28H29ClN4O2/c1-16(2)27-31-13-18(4)26(32-27)23-12-24(22(29)14-30-23)33-19(5)11-25(20(6)28(33)34)35-15-21-9-7-8-17(3)10-21/h7-14,16H,15H2,1-6H3
InChIKeyUTQCQUQYNUXMBM-UHFFFAOYSA-N
XLogP6.28
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.02
LogP ≤ 56.28
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-(5-methyl-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-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one (CID 67777458) is 1-[5-chloro-2-(5-methyl-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-(5-methyl-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-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one is Cc1cccc(COc2cc(C)n(-c3cc(-c4nc(C(C)C)ncc4C)ncc3Cl)c(=O)c2C)c1.
What is the InChIKey of 1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
The InChIKey is UTQCQUQYNUXMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c1-16(2)27-31-13-18(4)26(32-27)23-12-24(22(29)14-30-23)33-19(5)11-25(20(6)28(33)34)35-15-21-9-7-8-17(3)10-21/h7-14,16H,15H2,1-6H3.
What are the key properties of 1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one?
1-[5-chloro-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one has a molecular weight of 489.02 g/mol, XLogP of 6.28, 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-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]-3,6-dimethyl-4-[(3-methylphenyl)methoxy]pyridin-2-one is sourced from PubChem (CID 67777458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).