4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine

C25H22ClF2N5O — CID 157045658

IUPAC4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
SMILESCc1cc(C2CC(c3nc(-c4ccc(Cl)c(F)c4F)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C25H22ClF2N5O/c1-12-10-15(6-8-29-12)19-11-16(7-9-34-19)24-32-22(17-4-5-18(26)21(28)20(17)27)23-25(33-24)31-14(3)13(2)30-23/h4-6,8,10,16,19H,7,9,11H2,1-3H3
InChIKeyFMSXOKSXQNRWIP-UHFFFAOYSA-N
MW481.93 g/mol
LogP5.97
Rot. Bonds3

About 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine

4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine (PubChem CID 157045658) has the molecular formula C25H22ClF2N5O and a molecular weight of 481.93 g/mol. Its IUPAC name is 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine.

Molecular Properties

Compound Name4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
PubChem CID157045658
Molecular FormulaC25H22ClF2N5O
Molecular Weight481.93 g/mol
Exact Mass481.15
IUPAC Name4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
SMILESCc1cc(C2CC(c3nc(-c4ccc(Cl)c(F)c4F)c4nc(C)c(C)nc4n3)CCO2)ccn1
InChIInChI=1S/C25H22ClF2N5O/c1-12-10-15(6-8-29-12)19-11-16(7-9-34-19)24-32-22(17-4-5-18(26)21(28)20(17)27)23-25(33-24)31-14(3)13(2)30-23/h4-6,8,10,16,19H,7,9,11H2,1-3H3
InChIKeyFMSXOKSXQNRWIP-UHFFFAOYSA-N
XLogP5.97
TPSA73.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.93
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,4-difluorophenyl)-6,7-dimethyl-2-[(2S,4R)-2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine
CID 157045282
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4S)-2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157044476
4-(4-chloro-2-fluorophenyl)-6,7-dimethyl-2-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
7-(2,4-difluorophenyl)-2-methyl-5-[2-(2-methyl-4-pyridinyl)oxan-4-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 168887844
7-(2,4-difluorophenyl)-2-methyl-5-[(2R,4S)-2-(2-methyl-4-pyridinyl)oxan-4-yl]-[1,3]thiazolo[5,4-d]pyrimidine
CID 168887641
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[2-(3-methylbenzimidazol-5-yl)oxan-4-yl]pteridine;ethane
CID 177137322
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
4-(4-chloro-2,3-difluorophenyl)-7-methylpteridine;2-methyl-4-(oxan-2-yl)pyridine
CID 157045501
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridine
CID 166123351
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662
(2S)-4-[4-(4-chloro-2,5-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(2-methyl-4-pyridinyl)morpholine
CID 157045863

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine?
The IUPAC name of 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine (CID 157045658) is 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine.
What is the SMILES notation for 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine?
The canonical SMILES for 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine is Cc1cc(C2CC(c3nc(-c4ccc(Cl)c(F)c4F)c4nc(C)c(C)nc4n3)CCO2)ccn1.
What is the InChIKey of 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine?
The InChIKey is FMSXOKSXQNRWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClF2N5O/c1-12-10-15(6-8-29-12)19-11-16(7-9-34-19)24-32-22(17-4-5-18(26)21(28)20(17)27)23-25(33-24)31-14(3)13(2)30-23/h4-6,8,10,16,19H,7,9,11H2,1-3H3.
What are the key properties of 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine?
4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine has a molecular weight of 481.93 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2,3-difluorophenyl)-6,7-dimethyl-2-[2-(2-methyl-4-pyridinyl)oxan-4-yl]pteridine is sourced from PubChem (CID 157045658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).