2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine

C26H26F2N6O — CID 166122917

IUPAC2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(C3CCOC(c4cc(C5CC5)n(C)n4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H26F2N6O/c1-13-14(2)30-26-24(29-13)23(18-7-6-17(27)11-19(18)28)31-25(32-26)16-8-9-35-22(10-16)20-12-21(15-4-5-15)34(3)33-20/h6-7,11-12,15-16,22H,4-5,8-10H2,1-3H3
InChIKeyBNNHYDNKCVECQV-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.23
Rot. Bonds4

About 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine

2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine (PubChem CID 166122917) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
PubChem CID166122917
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
SMILESCc1nc2nc(C3CCOC(c4cc(C5CC5)n(C)n4)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H26F2N6O/c1-13-14(2)30-26-24(29-13)23(18-7-6-17(27)11-19(18)28)31-25(32-26)16-8-9-35-22(10-16)20-12-21(15-4-5-15)34(3)33-20/h6-7,11-12,15-16,22H,4-5,8-10H2,1-3H3
InChIKeyBNNHYDNKCVECQV-UHFFFAOYSA-N
XLogP5.23
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[2-(2-cyclopropyltriazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine
CID 166121771
4-(2,4-difluorophenyl)-2-[(2R,4S)-2-(6-methoxy-2-pyridinyl)oxan-4-yl]-6,7-dimethylpteridine
CID 166122662
4-(2,4-difluorophenyl)-6,7-dimethyl-2-[2-(3-methylbenzimidazol-5-yl)oxan-4-yl]pteridine;ethane
CID 177137322
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-[(2R,4R)-2-(1-methylpyrazol-4-yl)oxan-4-yl]pteridine
CID 157044971
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
CID 166123010
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-[2-(2-methylpyrimidin-5-yl)oxan-4-yl]pteridine
CID 157045272
4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine;1-(2-fluoroethyl)pyrazole
CID 166122881
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
CID 166121798
1-(1-bicyclo[1.1.1]pentanyl)pyrazole;4-(2,4-difluorophenyl)-6,7-dimethyl-2-(oxan-4-yl)pteridine
CID 166123038
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[4-(difluoromethoxy)-2-fluorophenyl]-6,7-dimethylpteridine
CID 166121512

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
The IUPAC name of 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine (CID 166122917) is 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine.
What is the SMILES notation for 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
The canonical SMILES for 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine is Cc1nc2nc(C3CCOC(c4cc(C5CC5)n(C)n4)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
The InChIKey is BNNHYDNKCVECQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-13-14(2)30-26-24(29-13)23(18-7-6-17(27)11-19(18)28)31-25(32-26)16-8-9-35-22(10-16)20-12-21(15-4-5-15)34(3)33-20/h6-7,11-12,15-16,22H,4-5,8-10H2,1-3H3.
What are the key properties of 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine?
2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine has a molecular weight of 476.53 g/mol, XLogP of 5.23, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-cyclopropyl-1-methylpyrazol-3-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6,7-dimethylpteridine is sourced from PubChem (CID 166122917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).