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

C25H24F2N6O — CID 157044406

IUPAC2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc([C@H]3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1
InChIInChI=1S/C25H24F2N6O/c1-13-10-28-23-22(19-6-3-17(26)9-20(19)27)31-24(32-25(23)30-13)15-7-14(2)34-21(8-15)16-11-29-33(12-16)18-4-5-18/h3,6,9-12,14-15,18,21H,4-5,7-8H2,1-2H3/t14-,15+,21-/m0/s1
InChIKeyJKZJSXCVEPRMKL-ZSDSOXJFSA-N
MW462.50 g/mol
LogP5.23
Rot. Bonds4

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

2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine (PubChem CID 157044406) has the molecular formula C25H24F2N6O and a molecular weight of 462.50 g/mol. Its IUPAC name is 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine.

Molecular Properties

Compound Name2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine
PubChem CID157044406
Molecular FormulaC25H24F2N6O
Molecular Weight462.50 g/mol
Exact Mass462.20
IUPAC Name2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc([C@H]3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1
InChIInChI=1S/C25H24F2N6O/c1-13-10-28-23-22(19-6-3-17(26)9-20(19)27)31-24(32-25(23)30-13)15-7-14(2)34-21(8-15)16-11-29-33(12-16)18-4-5-18/h3,6,9-12,14-15,18,21H,4-5,7-8H2,1-2H3/t14-,15+,21-/m0/s1
InChIKeyJKZJSXCVEPRMKL-ZSDSOXJFSA-N
XLogP5.23
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.50
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine?
The IUPAC name of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine (CID 157044406) is 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine.
What is the SMILES notation for 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine?
The canonical SMILES for 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine is Cc1cnc2c(-c3ccc(F)cc3F)nc([C@H]3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc2n1.
What is the InChIKey of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine?
The InChIKey is JKZJSXCVEPRMKL-ZSDSOXJFSA-N. The full InChI is InChI=1S/C25H24F2N6O/c1-13-10-28-23-22(19-6-3-17(26)9-20(19)27)31-24(32-25(23)30-13)15-7-14(2)34-21(8-15)16-11-29-33(12-16)18-4-5-18/h3,6,9-12,14-15,18,21H,4-5,7-8H2,1-2H3/t14-,15+,21-/m0/s1.
What are the key properties of 2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine?
2-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine has a molecular weight of 462.50 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-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-4-(2,4-difluorophenyl)-7-methylpteridine is sourced from PubChem (CID 157044406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).