8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine

C25H25ClFN5O — CID 157044366

About 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine

8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine (PubChem CID 157044366) has the molecular formula C25H25ClFN5O and a molecular weight of 465.96 g/mol. Its IUPAC name is 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine.

Molecular Properties

• Compound Name: 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
• PubChem CID: 157044366
• Molecular Formula: C25H25ClFN5O
• Molecular Weight: 465.96 g/mol
• Exact Mass: 465.17
• IUPAC Name: 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
• SMILES: Cc1nc2nc([C@H]3C[C@@H](C)O[C@H](c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)c2nc1C
• InChI: InChI=1S/C25H25ClFN5O/c1-13-7-16(8-23(33-13)17-11-28-32(4)12-17)22-10-20(19-6-5-18(26)9-21(19)27)24-25(31-22)30-15(3)14(2)29-24/h5-6,9-13,16,23H,7-8H2,1-4H3/t13-,16+,23+/m1/s1
• InChIKey: IPQHKRVSSANWOP-LTJFPGKXSA-N
• XLogP: 5.86
• TPSA: 65.72 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.96
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine?

The IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine (CID 157044366) is 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine.

What is the SMILES notation for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine?

The canonical SMILES for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine is Cc1nc2nc([C@H]3C[C@@H](C)O[C@H](c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)c2nc1C.

What is the InChIKey of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine?

The InChIKey is IPQHKRVSSANWOP-LTJFPGKXSA-N. The full InChI is InChI=1S/C25H25ClFN5O/c1-13-7-16(8-23(33-13)17-11-28-32(4)12-17)22-10-20(19-6-5-18(26)9-21(19)27)24-25(31-22)30-15(3)14(2)29-24/h5-6,9-13,16,23H,7-8H2,1-4H3/t13-,16+,23+/m1/s1.

What are the key properties of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine?

8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine has a molecular weight of 465.96 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,4S,6S)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 157044366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).