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

C27H25ClF2N4O2 — CID 67777816

IUPAC3-chloro-4-[(2,4-difluorophenyl)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)cc2F)c(Cl)c1=O
InChIInChI=1S/C27H25ClF2N4O2/c1-14(2)26-32-12-16(4)25(33-26)21-10-22(15(3)11-31-21)34-17(5)8-23(24(28)27(34)35)36-13-18-6-7-19(29)9-20(18)30/h6-12,14H,13H2,1-5H3
InChIKeyIWVAAWFEGRJUHV-UHFFFAOYSA-N
MW510.97 g/mol
LogP6.25
Rot. Bonds6

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

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67777816) has the molecular formula C27H25ClF2N4O2 and a molecular weight of 510.97 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67777816
Molecular FormulaC27H25ClF2N4O2
Molecular Weight510.97 g/mol
Exact Mass510.16
IUPAC Name3-chloro-4-[(2,4-difluorophenyl)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)cc2F)c(Cl)c1=O
InChIInChI=1S/C27H25ClF2N4O2/c1-14(2)26-32-12-16(4)25(33-26)21-10-22(15(3)11-31-21)34-17(5)8-23(24(28)27(34)35)36-13-18-6-7-19(29)9-20(18)30/h6-12,14H,13H2,1-5H3
InChIKeyIWVAAWFEGRJUHV-UHFFFAOYSA-N
XLogP6.25
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.97
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67777816) is 3-chloro-4-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)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-[(2,4-difluorophenyl)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)cc2F)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is IWVAAWFEGRJUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClF2N4O2/c1-14(2)26-32-12-16(4)25(33-26)21-10-22(15(3)11-31-21)34-17(5)8-23(24(28)27(34)35)36-13-18-6-7-19(29)9-20(18)30/h6-12,14H,13H2,1-5H3.
What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-methyl-2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(2,4-difluorophenyl)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 510.97 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(2,4-difluorophenyl)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 67777816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).