(6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C19H21F2N3O2 — CID 158911810

IUPAC(6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)C[C@H](F)[C@H](c1cccc(F)c1)N2
InChIInChI=1S/C19H21F2N3O2/c20-12-6-4-5-11(9-12)16-15(21)10-14-17(22-16)23-19(26)24(18(14)25)13-7-2-1-3-8-13/h4-6,9,13,15-16,22H,1-3,7-8,10H2,(H,23,26)/t15-,16-/m0/s1
InChIKeyJGSZIHDWQICIJV-HOTGVXAUSA-N
MW361.39 g/mol
LogP3.23
Rot. Bonds2

About (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

(6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 158911810) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID158911810
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name(6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESO=c1[nH]c2c(c(=O)n1C1CCCCC1)C[C@H](F)[C@H](c1cccc(F)c1)N2
InChIInChI=1S/C19H21F2N3O2/c20-12-6-4-5-11(9-12)16-15(21)10-14-17(22-16)23-19(26)24(18(14)25)13-7-2-1-3-8-13/h4-6,9,13,15-16,22H,1-3,7-8,10H2,(H,23,26)/t15-,16-/m0/s1
InChIKeyJGSZIHDWQICIJV-HOTGVXAUSA-N
XLogP3.23
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione with MolForge

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Related Compounds

(6R,7S)-3-cyclohexyl-6-fluoro-7-[2-fluoro-5-(hydroxymethyl)phenyl]-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione;(6S,7S)-7-(5-ethynyl-2-fluorophenyl)-6-fluoro-3-(oxan-4-yl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 159959201
3-cyclohexyl-6-[4-(3-fluorophenyl)piperazin-1-yl]-1H-pyrimidine-2,4-dione
CID 45382276
3-cyclohexyl-5-fluoro-1H-benzimidazol-2-one
CID 117208462
3-cyclohexyl-2-(3-fluorophenyl)imidazolidin-4-one
CID 83243222
6-[2-(3-fluorophenyl)azepane-1-carbonyl]-1H-pyridin-2-one
CID 91791269
1-cyclohexyl-N-[(3-fluorophenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 6489617
4-(3-fluorophenyl)-3-methylazetidin-2-one
CID 114873177
(4R,5S)-4-amino-5-(3-fluorophenyl)pyrrolidin-2-one
CID 95437342
3-cyclooctyl-1H-quinazoline-2,4-dione
CID 47148765
5-[2-(3-fluorophenyl)azepane-1-carbonyl]-1-methylpyrimidine-2,4-dione
CID 91793434
(5R,6S)-5-amino-6-(3-fluorophenyl)piperidin-2-one
CID 95369037
3-cyclohexyl-8-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117262016

Frequently Asked Questions

What is the IUPAC name of (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 158911810) is (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is O=c1[nH]c2c(c(=O)n1C1CCCCC1)C[C@H](F)[C@H](c1cccc(F)c1)N2.
What is the InChIKey of (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is JGSZIHDWQICIJV-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-12-6-4-5-11(9-12)16-15(21)10-14-17(22-16)23-19(26)24(18(14)25)13-7-2-1-3-8-13/h4-6,9,13,15-16,22H,1-3,7-8,10H2,(H,23,26)/t15-,16-/m0/s1.
What are the key properties of (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
(6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 361.39 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S,7S)-3-cyclohexyl-6-fluoro-7-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 158911810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).