1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine

C26H29FN6O2 — CID 166122263

IUPAC1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
SMILESCOc1ccc(-c2ncnc3nc(C)c(C)nc23)c(F)c1.c1nn(C2CC2)cc1C1CCCCO1
InChIInChI=1S/C15H13FN4O.C11H16N2O/c1-8-9(2)20-15-14(19-8)13(17-7-18-15)11-5-4-10(21-3)6-12(11)16;1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h4-7H,1-3H3;7-8,10-11H,1-6H2
InChIKeyQXTUYAIGZSMLAY-UHFFFAOYSA-N
MW476.56 g/mol
LogP5.31
Rot. Bonds4

About 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine

1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine (PubChem CID 166122263) has the molecular formula C26H29FN6O2 and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine.

Molecular Properties

Compound Name1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
PubChem CID166122263
Molecular FormulaC26H29FN6O2
Molecular Weight476.56 g/mol
Exact Mass476.23
IUPAC Name1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine
SMILESCOc1ccc(-c2ncnc3nc(C)c(C)nc23)c(F)c1.c1nn(C2CC2)cc1C1CCCCO1
InChIInChI=1S/C15H13FN4O.C11H16N2O/c1-8-9(2)20-15-14(19-8)13(17-7-18-15)11-5-4-10(21-3)6-12(11)16;1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h4-7H,1-3H3;7-8,10-11H,1-6H2
InChIKeyQXTUYAIGZSMLAY-UHFFFAOYSA-N
XLogP5.31
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.56
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(2,4-difluorophenyl)-6,7-dimethylpteridine;4-[(2R)-oxan-2-yl]-1-(oxetan-3-yl)pyrazole
CID 166122277
4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridine;1-cyclopropyl-4-(4-fluorooxan-2-yl)pyrazole
CID 166122886
6-chloro-4-(2,4-difluorophenyl)-7-methylpyrido[2,3-d]pyrimidine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122557
4-(2,4-difluorophenyl)-6,7-dimethylpteridine;1-(2-fluoroethyl)-4-(oxan-2-yl)pyrazole
CID 166122042
4-(4-chloro-2-fluorophenyl)-7-(2,2,2-trifluoroethyl)pteridine;1-cyclopropyl-4-(oxan-2-yl)pyrazole
CID 166122429
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[4-(difluoromethoxy)-2-fluorophenyl]-6,7-dimethylpteridine
CID 166121512
1-cyclopropylpyrazole;4-[2-fluoro-4-(trifluoromethoxy)phenyl]-6,7-dimethylpteridine;oxane
CID 166123369
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166123216
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)-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)-4-methoxyoxan-4-yl]-6,7-dimethylpteridine
CID 166121377
1-cyclopropylpyrazole;4-(2,4-difluorophenyl)-6,7-dimethylpteridine;oxepane
CID 166122534
4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine?
The IUPAC name of 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine (CID 166122263) is 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine.
What is the SMILES notation for 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine?
The canonical SMILES for 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine is COc1ccc(-c2ncnc3nc(C)c(C)nc23)c(F)c1.c1nn(C2CC2)cc1C1CCCCO1.
What is the InChIKey of 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine?
The InChIKey is QXTUYAIGZSMLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O.C11H16N2O/c1-8-9(2)20-15-14(19-8)13(17-7-18-15)11-5-4-10(21-3)6-12(11)16;1-2-6-14-11(3-1)9-7-12-13(8-9)10-4-5-10/h4-7H,1-3H3;7-8,10-11H,1-6H2.
What are the key properties of 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine?
1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine has a molecular weight of 476.56 g/mol, XLogP of 5.31, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(oxan-2-yl)pyrazole;4-(2-fluoro-4-methoxyphenyl)-6,7-dimethylpteridine is sourced from PubChem (CID 166122263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).