4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine

C26H26F2N4O — CID 157044570

IUPAC4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
SMILESCc1cc2c(-c3ccc(F)cc3F)nc(C3CCOCC3)nc2nc1C.Cc1ccccn1
InChIInChI=1S/C20H19F2N3O.C6H7N/c1-11-9-16-18(15-4-3-14(21)10-17(15)22)24-19(13-5-7-26-8-6-13)25-20(16)23-12(11)2;1-6-4-2-3-5-7-6/h3-4,9-10,13H,5-8H2,1-2H3;2-5H,1H3
InChIKeyLDNFVUAVZVBZBV-UHFFFAOYSA-N
MW448.52 g/mol
LogP5.87
Rot. Bonds2

About 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine

4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine (PubChem CID 157044570) has the molecular formula C26H26F2N4O and a molecular weight of 448.52 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
PubChem CID157044570
Molecular FormulaC26H26F2N4O
Molecular Weight448.52 g/mol
Exact Mass448.21
IUPAC Name4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine
SMILESCc1cc2c(-c3ccc(F)cc3F)nc(C3CCOCC3)nc2nc1C.Cc1ccccn1
InChIInChI=1S/C20H19F2N3O.C6H7N/c1-11-9-16-18(15-4-3-14(21)10-17(15)22)24-19(13-5-7-26-8-6-13)25-20(16)23-12(11)2;1-6-4-2-3-5-7-6/h3-4,9-10,13H,5-8H2,1-2H3;2-5H,1H3
InChIKeyLDNFVUAVZVBZBV-UHFFFAOYSA-N
XLogP5.87
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.52
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine with MolForge

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Related Compounds

7-(2,4-difluorophenyl)-2-methyl-5-(oxan-4-yl)-[1,3]thiazolo[4,5-d]pyrimidine
CID 168887939
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine;2-methylpyridine;oxane
CID 157044854
4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;(2S)-4-[4-(2,4-difluorophenyl)-7-ethylpyrido[2,3-d]pyrimidin-2-yl]-2-(1-methylpyrazol-4-yl)morpholine;ethane;2-methylpyridine
CID 157045221
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
5-(4-chloro-2-fluorophenyl)-2,3-dimethyl-7-(oxan-4-yl)-1,8-naphthyridine
CID 166121652
4-[4-(2,4-difluorophenyl)-6,7-dimethylpyrido[2,3-d]pyrimidin-2-yl]morpholine;1-methylimidazole
CID 166122011
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-d]pyrimidine
CID 157045878
1-cyclopropylpyrazole;1-(2,4-difluorophenyl)-3-(oxan-4-yl)-7,8-dihydro-6H-purino[7,8-a]pyrrole
CID 168887860
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662
4-(4-chloro-2-fluorophenyl)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethylpyrido[2,3-d]pyrimidine
CID 157044857

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine?
The IUPAC name of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine (CID 157044570) is 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine?
The canonical SMILES for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine is Cc1cc2c(-c3ccc(F)cc3F)nc(C3CCOCC3)nc2nc1C.Cc1ccccn1.
What is the InChIKey of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine?
The InChIKey is LDNFVUAVZVBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O.C6H7N/c1-11-9-16-18(15-4-3-14(21)10-17(15)22)24-19(13-5-7-26-8-6-13)25-20(16)23-12(11)2;1-6-4-2-3-5-7-6/h3-4,9-10,13H,5-8H2,1-2H3;2-5H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine?
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine has a molecular weight of 448.52 g/mol, XLogP of 5.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pyrido[2,3-d]pyrimidine;2-methylpyridine is sourced from PubChem (CID 157044570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).