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

C26H24F2N4O2 — CID 166830781

IUPAC5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc([C@@H]2C[C@H](c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(F)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C26H24F2N4O2/c1-14-10-17(6-8-29-14)23-11-16(7-9-34-23)21-13-22-24(26(33)32(3)15(2)30-22)25(31-21)19-5-4-18(27)12-20(19)28/h4-6,8,10,12-13,16,23H,7,9,11H2,1-3H3/t16-,23+/m1/s1
InChIKeySVNZBXXBUIMDBA-MWTRTKDXSA-N
MW462.50 g/mol
LogP4.92
Rot. Bonds3

About 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

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 (PubChem CID 166830781) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
PubChem CID166830781
Molecular FormulaC26H24F2N4O2
Molecular Weight462.50 g/mol
Exact Mass462.19
IUPAC Name5-(2,4-difluorophenyl)-2,3-dimethyl-7-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pyrido[4,3-d]pyrimidin-4-one
SMILESCc1cc([C@@H]2C[C@H](c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(F)cc4F)n3)CCO2)ccn1
InChIInChI=1S/C26H24F2N4O2/c1-14-10-17(6-8-29-14)23-11-16(7-9-34-23)21-13-22-24(26(33)32(3)15(2)30-22)25(31-21)19-5-4-18(27)12-20(19)28/h4-6,8,10,12-13,16,23H,7,9,11H2,1-3H3/t16-,23+/m1/s1
InChIKeySVNZBXXBUIMDBA-MWTRTKDXSA-N
XLogP4.92
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.50
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

CID 57877881
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CID 9548999
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CID 9548983
CID 9548983
CID 42949390
CID 42949390
CID 75391374
CID 75391374
CID 58073473
CID 58073473
CID 59738266
CID 59738266
CID 68310353
CID 68310353
CID 89743890
CID 89743890
CID 117896779
CID 117896779
CID 123365806
CID 123365806
CID 123581425
CID 123581425

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc([C@@H]2C[C@H](c3cc4nc(C)n(C)c(=O)c4c(-c4ccc(F)cc4F)n3)CCO2)ccn1.
What is the InChIKey of 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?
The InChIKey is SVNZBXXBUIMDBA-MWTRTKDXSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-14-10-17(6-8-29-14)23-11-16(7-9-34-23)21-13-22-24(26(33)32(3)15(2)30-22)25(31-21)19-5-4-18(27)12-20(19)28/h4-6,8,10,12-13,16,23H,7,9,11H2,1-3H3/t16-,23+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 462.50 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166830781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).