3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one

C26H27ClN4O3S — CID 67777971

IUPAC3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one
SMILESCc1cc(COc2cc(C)n(-c3cc(-c4nc(C(C)(C)O)ncc4C)ncc3C)c(=O)c2Cl)cs1
InChIInChI=1S/C26H27ClN4O3S/c1-14-10-28-19(23-15(2)11-29-25(30-23)26(5,6)33)9-20(14)31-16(3)7-21(22(27)24(31)32)34-12-18-8-17(4)35-13-18/h7-11,13,33H,12H2,1-6H3
InChIKeyWZHXIUUGQITZEH-UHFFFAOYSA-N
MW511.05 g/mol
LogP5.44
Rot. Bonds6

About 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one

3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one (PubChem CID 67777971) has the molecular formula C26H27ClN4O3S and a molecular weight of 511.05 g/mol. Its IUPAC name is 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one
PubChem CID67777971
Molecular FormulaC26H27ClN4O3S
Molecular Weight511.05 g/mol
Exact Mass510.15
IUPAC Name3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one
SMILESCc1cc(COc2cc(C)n(-c3cc(-c4nc(C(C)(C)O)ncc4C)ncc3C)c(=O)c2Cl)cs1
InChIInChI=1S/C26H27ClN4O3S/c1-14-10-28-19(23-15(2)11-29-25(30-23)26(5,6)33)9-20(14)31-16(3)7-21(22(27)24(31)32)34-12-18-8-17(4)35-13-18/h7-11,13,33H,12H2,1-6H3
InChIKeyWZHXIUUGQITZEH-UHFFFAOYSA-N
XLogP5.44
TPSA90.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.05
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-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-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one?
The IUPAC name of 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one (CID 67777971) is 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one.
What is the SMILES notation for 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one?
The canonical SMILES for 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one is Cc1cc(COc2cc(C)n(-c3cc(-c4nc(C(C)(C)O)ncc4C)ncc3C)c(=O)c2Cl)cs1.
What is the InChIKey of 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one?
The InChIKey is WZHXIUUGQITZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27ClN4O3S/c1-14-10-28-19(23-15(2)11-29-25(30-23)26(5,6)33)9-20(14)31-16(3)7-21(22(27)24(31)32)34-12-18-8-17(4)35-13-18/h7-11,13,33H,12H2,1-6H3.
What are the key properties of 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one?
3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one has a molecular weight of 511.05 g/mol, XLogP of 5.44, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[2-[2-(2-hydroxypropan-2-yl)-5-methylpyrimidin-4-yl]-5-methyl-4-pyridinyl]-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]pyridin-2-one is sourced from PubChem (CID 67777971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).