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

C27H26ClFN4O2 — CID 67777591

IUPAC3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2nc(C(C)C)ncc2C)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C27H26ClFN4O2/c1-15(2)26-31-13-17(4)25(32-26)21-11-22(16(3)12-30-21)33-18(5)10-23(24(28)27(33)34)35-14-19-6-8-20(29)9-7-19/h6-13,15H,14H2,1-5H3
InChIKeyKLNUEGRHPVBOTF-UHFFFAOYSA-N
MW492.98 g/mol
LogP6.11
Rot. Bonds6

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

3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67777591) has the molecular formula C27H26ClFN4O2 and a molecular weight of 492.98 g/mol. Its IUPAC name is 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67777591
Molecular FormulaC27H26ClFN4O2
Molecular Weight492.98 g/mol
Exact Mass492.17
IUPAC Name3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cnc(-c2nc(C(C)C)ncc2C)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(Cl)c1=O
InChIInChI=1S/C27H26ClFN4O2/c1-15(2)26-31-13-17(4)25(32-26)21-11-22(16(3)12-30-21)33-18(5)10-23(24(28)27(33)34)35-14-19-6-8-20(29)9-7-19/h6-13,15H,14H2,1-5H3
InChIKeyKLNUEGRHPVBOTF-UHFFFAOYSA-N
XLogP6.11
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.98
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67777591) is 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cnc(-c2nc(C(C)C)ncc2C)cc1-n1c(C)cc(OCc2ccc(F)cc2)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is KLNUEGRHPVBOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O2/c1-15(2)26-31-13-17(4)25(32-26)21-11-22(16(3)12-30-21)33-18(5)10-23(24(28)27(33)34)35-14-19-6-8-20(29)9-7-19/h6-13,15H,14H2,1-5H3.
What are the key properties of 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 492.98 g/mol, XLogP of 6.11, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67777591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).