8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione

C26H30F2N4O3 — CID 177234123

IUPAC8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1cc([C@@H]2C[C@H](c3cc4c(=O)n(C)c(C)nc4n(C4CCC(F)(F)CC4)c3=O)CCO2)ccn1
InChIInChI=1S/C26H30F2N4O3/c1-15-12-18(6-10-29-15)22-13-17(7-11-35-22)20-14-21-23(30-16(2)31(3)24(21)33)32(25(20)34)19-4-8-26(27,28)9-5-19/h6,10,12,14,17,19,22H,4-5,7-9,11,13H2,1-3H3/t17-,22+/m1/s1
InChIKeyKSOZLGTVQJQFHX-VGSWGCGISA-N
MW484.55 g/mol
LogP4.49
Rot. Bonds3

About 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione

8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione (PubChem CID 177234123) has the molecular formula C26H30F2N4O3 and a molecular weight of 484.55 g/mol. Its IUPAC name is 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione.

Molecular Properties

Compound Name8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione
PubChem CID177234123
Molecular FormulaC26H30F2N4O3
Molecular Weight484.55 g/mol
Exact Mass484.23
IUPAC Name8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione
SMILESCc1cc([C@@H]2C[C@H](c3cc4c(=O)n(C)c(C)nc4n(C4CCC(F)(F)CC4)c3=O)CCO2)ccn1
InChIInChI=1S/C26H30F2N4O3/c1-15-12-18(6-10-29-15)22-13-17(7-11-35-22)20-14-21-23(30-16(2)31(3)24(21)33)32(25(20)34)19-4-8-26(27,28)9-5-19/h6,10,12,14,17,19,22H,4-5,7-9,11,13H2,1-3H3/t17-,22+/m1/s1
InChIKeyKSOZLGTVQJQFHX-VGSWGCGISA-N
XLogP4.49
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.55
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione with MolForge

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Related Compounds

5-(4,4-difluorocyclohexyl)-2,3-dimethyl-7-[2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-one
CID 177234012
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830782
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830780
5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830781
13-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-2,7,12-triazatricyclo[7.4.0.03,7]trideca-1(9),2,10,12-tetraen-8-one
CID 177152212
6-(2,4-difluorophenyl)-2,3-dimethyl-8-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrimido[1,6-a]pyrimidin-4-one
CID 177151460
13-(2,4-difluorophenyl)-11-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-oxa-1,8,12-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177151435
2,3-dimethyl-6-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]-8-[6-(trifluoromethyl)-3-pyridinyl]pyrido[3,4-d]pyrimidin-4-one
CID 170711724
10-(4-chloro-2,3-difluorophenyl)-12-[2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-oxa-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177152361
10-(2,4-difluorophenyl)-6-methyl-12-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-5-oxa-1,8,11-triazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 177152122
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-[(2R,4R)-2-(6-methyl-3-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
CID 166830620
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282

Frequently Asked Questions

What is the IUPAC name of 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione?
The IUPAC name of 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione (CID 177234123) is 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione.
What is the SMILES notation for 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione?
The canonical SMILES for 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione is Cc1cc([C@@H]2C[C@H](c3cc4c(=O)n(C)c(C)nc4n(C4CCC(F)(F)CC4)c3=O)CCO2)ccn1.
What is the InChIKey of 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione?
The InChIKey is KSOZLGTVQJQFHX-VGSWGCGISA-N. The full InChI is InChI=1S/C26H30F2N4O3/c1-15-12-18(6-10-29-15)22-13-17(7-11-35-22)20-14-21-23(30-16(2)31(3)24(21)33)32(25(20)34)19-4-8-26(27,28)9-5-19/h6,10,12,14,17,19,22H,4-5,7-9,11,13H2,1-3H3/t17-,22+/m1/s1.
What are the key properties of 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione?
8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione has a molecular weight of 484.55 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4,4-difluorocyclohexyl)-2,3-dimethyl-6-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[2,3-d]pyrimidine-4,7-dione is sourced from PubChem (CID 177234123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).