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

C25H21ClF2N4O2 — CID 67777525

IUPAC3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1ccnc(-c2ccnc(C(C)C)n2)c1
InChIInChI=1S/C25H21ClF2N4O2/c1-14(2)24-30-9-7-20(31-24)21-12-18(6-8-29-21)32-15(3)10-22(23(26)25(32)33)34-13-16-4-5-17(27)11-19(16)28/h4-12,14H,13H2,1-3H3
InChIKeyVCQBRAGDEXDODG-UHFFFAOYSA-N
MW482.92 g/mol
LogP5.63
Rot. Bonds6

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

3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67777525) has the molecular formula C25H21ClF2N4O2 and a molecular weight of 482.92 g/mol. Its IUPAC name is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67777525
Molecular FormulaC25H21ClF2N4O2
Molecular Weight482.92 g/mol
Exact Mass482.13
IUPAC Name3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1ccnc(-c2ccnc(C(C)C)n2)c1
InChIInChI=1S/C25H21ClF2N4O2/c1-14(2)24-30-9-7-20(31-24)21-12-18(6-8-29-21)32-15(3)10-22(23(26)25(32)33)34-13-16-4-5-17(27)11-19(16)28/h4-12,14H,13H2,1-3H3
InChIKeyVCQBRAGDEXDODG-UHFFFAOYSA-N
XLogP5.63
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.92
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(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-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67777525) is 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(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-[2-(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-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cc(OCc2ccc(F)cc2F)c(Cl)c(=O)n1-c1ccnc(-c2ccnc(C(C)C)n2)c1.
What is the InChIKey of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is VCQBRAGDEXDODG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClF2N4O2/c1-14(2)24-30-9-7-20(31-24)21-12-18(6-8-29-21)32-15(3)10-22(23(26)25(32)33)34-13-16-4-5-17(27)11-19(16)28/h4-12,14H,13H2,1-3H3.
What are the key properties of 3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 482.92 g/mol, XLogP of 5.63, 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-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67777525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).