2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine

C25H24F2N6O2 — CID 166123010

IUPAC2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
SMILESCOc1nc2c(-c3ccc(F)cc3F)nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C25H24F2N6O2/c1-13-25(34-2)31-22-21(18-6-3-16(26)10-19(18)27)30-23(32-24(22)29-13)14-7-8-35-20(9-14)15-11-28-33(12-15)17-4-5-17/h3,6,10-12,14,17,20H,4-5,7-9H2,1-2H3/t14-,20-/m1/s1
InChIKeyJNPPDRVMDWTFER-JLTOFOAXSA-N
MW478.50 g/mol
LogP4.85
Rot. Bonds5

About 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine

2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine (PubChem CID 166123010) has the molecular formula C25H24F2N6O2 and a molecular weight of 478.50 g/mol. Its IUPAC name is 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine.

Molecular Properties

Compound Name2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
PubChem CID166123010
Molecular FormulaC25H24F2N6O2
Molecular Weight478.50 g/mol
Exact Mass478.19
IUPAC Name2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine
SMILESCOc1nc2c(-c3ccc(F)cc3F)nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2nc1C
InChIInChI=1S/C25H24F2N6O2/c1-13-25(34-2)31-22-21(18-6-3-16(26)10-19(18)27)30-23(32-24(22)29-13)14-7-8-35-20(9-14)15-11-28-33(12-15)17-4-5-17/h3,6,10-12,14,17,20H,4-5,7-9H2,1-2H3/t14-,20-/m1/s1
InChIKeyJNPPDRVMDWTFER-JLTOFOAXSA-N
XLogP4.85
TPSA87.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-(4-chloro-2-fluorophenyl)-2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6-methoxy-7-methylpteridine
CID 166122783
2-[(2R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-6,7-dimethyl-4-(2,4,6-trifluorophenyl)pteridine
CID 166121798
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[4-(difluoromethoxy)-2-fluorophenyl]-6,7-dimethylpteridine
CID 166121512
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(6-methoxy-3-pyridinyl)-6,7-dimethylpteridine
CID 166123288
7-cyclopropyl-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-N,N-dimethylpteridine-6-carboxamide
CID 166121243
1-[7-cyclopropyl-2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)pteridin-6-yl]-N,N-dimethylethenamine
CID 166123304
6-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-8-(2,4-difluorophenyl)-2,3-dimethylpyrimido[5,4-d]pyrimidin-4-one
CID 168887397
CID 166122412
CID 166122412
2-[2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[2,3-difluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridine
CID 166123351
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-7-methylquinazoline-8-carbonitrile
CID 166122205
2-[(2R,4S)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-[2,6-difluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridine
CID 166121829
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 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine?
The IUPAC name of 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine (CID 166123010) is 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine.
What is the SMILES notation for 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine?
The canonical SMILES for 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine is COc1nc2c(-c3ccc(F)cc3F)nc([C@@H]3CCO[C@@H](c4cnn(C5CC5)c4)C3)nc2nc1C.
What is the InChIKey of 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine?
The InChIKey is JNPPDRVMDWTFER-JLTOFOAXSA-N. The full InChI is InChI=1S/C25H24F2N6O2/c1-13-25(34-2)31-22-21(18-6-3-16(26)10-19(18)27)30-23(32-24(22)29-13)14-7-8-35-20(9-14)15-11-28-33(12-15)17-4-5-17/h3,6,10-12,14,17,20H,4-5,7-9H2,1-2H3/t14-,20-/m1/s1.
What are the key properties of 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine?
2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine has a molecular weight of 478.50 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-2-(1-cyclopropylpyrazol-4-yl)oxan-4-yl]-4-(2,4-difluorophenyl)-6-methoxy-7-methylpteridine is sourced from PubChem (CID 166123010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).