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

C24H23ClN4O2S — CID 67777465

IUPAC3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2Cl)cs1
InChIInChI=1S/C24H23ClN4O2S/c1-14(2)23-27-8-6-19(28-23)20-11-18(5-7-26-20)29-15(3)9-21(22(25)24(29)30)31-12-17-10-16(4)32-13-17/h5-11,13-14H,12H2,1-4H3
InChIKeyGCZJQHUZQUIKTG-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.72
Rot. Bonds6

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

3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (PubChem CID 67777465) has the molecular formula C24H23ClN4O2S and a molecular weight of 466.99 g/mol. Its IUPAC name is 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.

Molecular Properties

Compound Name3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
PubChem CID67777465
Molecular FormulaC24H23ClN4O2S
Molecular Weight466.99 g/mol
Exact Mass466.12
IUPAC Name3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
SMILESCc1cc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2Cl)cs1
InChIInChI=1S/C24H23ClN4O2S/c1-14(2)23-27-8-6-19(28-23)20-11-18(5-7-26-20)29-15(3)9-21(22(25)24(29)30)31-12-17-10-16(4)32-13-17/h5-11,13-14H,12H2,1-4H3
InChIKeyGCZJQHUZQUIKTG-UHFFFAOYSA-N
XLogP5.72
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(2-Cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(3-thienylmethoxy)pyridin-2(1H)-one
CID 89690607
1-(2-Cyclopropyl-3-methylimidazo[1,2-a]pyridin-6-yl)-4-(2-thienylmethoxy)pyridin-2(1H)-one
CID 89690622
US11680056, Example 33A
CID 165398233
3-Chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
CID 67776150
1-[2-(2-Tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 67776857
1-[2-(2-Tert-butylpyrimidin-4-yl)-4-pyridinyl]-3-chloro-4-[(2,4-difluorophenyl)methoxy]-6-methylpyridin-2-one
CID 67776896
3-Chloro-4-[(4-fluorophenyl)methoxy]-6-methyl-1-[2-(5-methyl-2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
CID 67777353
3-Chloro-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one
CID 67777525
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
1-[2-(2-Tert-butyl-5-methylpyrimidin-4-yl)-5-methyl-4-pyridinyl]-3-chloro-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 67777660
1-[2-(2-Tert-butylpyrimidin-4-yl)-5-methyl-4-pyridinyl]-3-chloro-4-[(4-fluorophenyl)methoxy]-6-methylpyridin-2-one
CID 67777758
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The IUPAC name of 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one (CID 67777465) is 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one.
What is the SMILES notation for 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The canonical SMILES for 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is Cc1cc(COc2cc(C)n(-c3ccnc(-c4ccnc(C(C)C)n4)c3)c(=O)c2Cl)cs1.
What is the InChIKey of 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
The InChIKey is GCZJQHUZQUIKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN4O2S/c1-14(2)23-27-8-6-19(28-23)20-11-18(5-7-26-20)29-15(3)9-21(22(25)24(29)30)31-12-17-10-16(4)32-13-17/h5-11,13-14H,12H2,1-4H3.
What are the key properties of 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one?
3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one has a molecular weight of 466.99 g/mol, XLogP of 5.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-methyl-4-[(5-methylthiophen-3-yl)methoxy]-1-[2-(2-propan-2-ylpyrimidin-4-yl)-4-pyridinyl]pyridin-2-one is sourced from PubChem (CID 67777465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).