3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

C26H25ClFN5O3 — CID 165398396

IUPAC3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)ncc1F
InChIInChI=1S/C26H25ClFN5O3/c1-14-8-17(30-12-18(14)28)13-36-22-9-16(3)33(24(34)23(22)27)21-10-20(31-11-15(21)2)19-6-7-29-25(32-19)26(4,5)35/h6-12,35H,13H2,1-5H3
InChIKeyLIFVOTGTVLDGRV-UHFFFAOYSA-N
MW509.97 g/mol
LogP4.61
Rot. Bonds6

About 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one

3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (PubChem CID 165398396) has the molecular formula C26H25ClFN5O3 and a molecular weight of 509.97 g/mol. Its IUPAC name is 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
PubChem CID165398396
Molecular FormulaC26H25ClFN5O3
Molecular Weight509.97 g/mol
Exact Mass509.16
IUPAC Name3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one
SMILESCc1cc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)ncc1F
InChIInChI=1S/C26H25ClFN5O3/c1-14-8-17(30-12-18(14)28)13-36-22-9-16(3)33(24(34)23(22)27)21-10-20(31-11-15(21)2)19-6-7-29-25(32-19)26(4,5)35/h6-12,35H,13H2,1-5H3
InChIKeyLIFVOTGTVLDGRV-UHFFFAOYSA-N
XLogP4.61
TPSA103.02 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.97
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one (CID 165398396) is 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is Cc1cc(COc2cc(C)n(-c3cc(-c4ccnc(C(C)(C)O)n4)ncc3C)c(=O)c2Cl)ncc1F.
What is the InChIKey of 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
The InChIKey is LIFVOTGTVLDGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClFN5O3/c1-14-8-17(30-12-18(14)28)13-36-22-9-16(3)33(24(34)23(22)27)21-10-20(31-11-15(21)2)19-6-7-29-25(32-19)26(4,5)35/h6-12,35H,13H2,1-5H3.
What are the key properties of 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one?
3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one has a molecular weight of 509.97 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(5-fluoro-4-methyl-2-pyridinyl)methoxy]-1-[2-[2-(2-hydroxypropan-2-yl)pyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methylpyridin-2-one is sourced from PubChem (CID 165398396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).