6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one

C25H24F2N4O2 — CID 168961999

IUPAC6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one
SMILESCc1nccc(C(C)C)c1-n1c(=O)nc(C(C)C)c2cc(F)c(-c3c(O)cccc3F)nc21
InChIInChI=1S/C25H24F2N4O2/c1-12(2)15-9-10-28-14(5)23(15)31-24-16(21(13(3)4)30-25(31)33)11-18(27)22(29-24)20-17(26)7-6-8-19(20)32/h6-13,32H,1-5H3
InChIKeyWRTQCEVZKSOQJY-UHFFFAOYSA-N
MW450.49 g/mol
LogP5.38
Rot. Bonds4

About 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one (PubChem CID 168961999) has the molecular formula C25H24F2N4O2 and a molecular weight of 450.49 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one
PubChem CID168961999
Molecular FormulaC25H24F2N4O2
Molecular Weight450.49 g/mol
Exact Mass450.19
IUPAC Name6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one
SMILESCc1nccc(C(C)C)c1-n1c(=O)nc(C(C)C)c2cc(F)c(-c3c(O)cccc3F)nc21
InChIInChI=1S/C25H24F2N4O2/c1-12(2)15-9-10-28-14(5)23(15)31-24-16(21(13(3)4)30-25(31)33)11-18(27)22(29-24)20-17(26)7-6-8-19(20)32/h6-13,32H,1-5H3
InChIKeyWRTQCEVZKSOQJY-UHFFFAOYSA-N
XLogP5.38
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.49
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one with MolForge

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Related Compounds

4-[(2S,5R)-2,5-dimethylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 175817428
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(4-methyl-8-azaspiro[4.5]dec-2-en-8-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155344879
4-[(2S,6S)-2,6-dimethyl-4-prop-2-enoylpiperazin-1-yl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 146235742
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155344909
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]-1-(2-methylsulfonyl-4-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 166652896
bis(6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one);methane
CID 158209799
6-chloro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 175891247
1-(2,4-dimethyl-3-pyridinyl)-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[(2S)-2-methylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
CID 167088579
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155344925
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(2-methyl-4-prop-2-enoylpiperazin-1-yl)-1-(4-methylsulfanyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 155344947
4-[1-[2-(difluoromethyl)-4-methyl-3-pyridinyl]-6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-2-oxopyrido[2,3-d]pyrimidin-4-yl]-3-methylpiperazine-1-carboxylic acid
CID 175118356
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-(1-isocyanocyclopropyl)-4-prop-2-enoylpiperazin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
CID 164811516

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one (CID 168961999) is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one is Cc1nccc(C(C)C)c1-n1c(=O)nc(C(C)C)c2cc(F)c(-c3c(O)cccc3F)nc21.
What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one?
The InChIKey is WRTQCEVZKSOQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N4O2/c1-12(2)15-9-10-28-14(5)23(15)31-24-16(21(13(3)4)30-25(31)33)11-18(27)22(29-24)20-17(26)7-6-8-19(20)32/h6-13,32H,1-5H3.
What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one?
6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one has a molecular weight of 450.49 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(2-methyl-4-propan-2-yl-3-pyridinyl)-4-propan-2-ylpyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 168961999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).