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

C25H25ClFN5O — CID 157044382

IUPAC8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
SMILESCc1nc2nc(C3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=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
InChIKeyIPQHKRVSSANWOP-GWDXGDSKSA-N
MW465.96 g/mol
LogP5.86
Rot. Bonds3

About 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6R)-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,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine (PubChem CID 157044382) 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,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine.

Molecular Properties

Compound Name8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
PubChem CID157044382
Molecular FormulaC25H25ClFN5O
Molecular Weight465.96 g/mol
Exact Mass465.17
IUPAC Name8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine
SMILESCc1nc2nc(C3C[C@@H](C)O[C@@H](c4cnn(C)c4)C3)cc(-c3ccc(Cl)cc3F)c2nc1C
InChIInChI=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
InChIKeyIPQHKRVSSANWOP-GWDXGDSKSA-N
XLogP5.86
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.96
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6R)-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,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine (CID 157044382) is 8-(4-chloro-2-fluorophenyl)-2,3-dimethyl-6-[(2R,6R)-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,6R)-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,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine is Cc1nc2nc(C3C[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,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine?
The InChIKey is IPQHKRVSSANWOP-GWDXGDSKSA-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,6R)-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,6R)-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,6R)-2-methyl-6-(1-methylpyrazol-4-yl)oxan-4-yl]pyrido[2,3-b]pyrazine is sourced from PubChem (CID 157044382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).