(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine

C26H26F2N6O — CID 157044356

IUPAC(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
SMILESCc1nc2cc(N3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H26F2N6O/c1-14-11-33(13-23(35-14)17-10-29-34(12-17)19-5-6-19)24-9-22-26(31-16(3)15(2)30-22)25(32-24)20-7-4-18(27)8-21(20)28/h4,7-10,12,14,19,23H,5-6,11,13H2,1-3H3/t14-,23-/m0/s1
InChIKeyLZJNEBXNAXSUCB-PSLXWICFSA-N
MW476.53 g/mol
LogP5.08
Rot. Bonds4

About (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine

(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine (PubChem CID 157044356) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine.

Molecular Properties

Compound Name(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
PubChem CID157044356
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
SMILESCc1nc2cc(N3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc(-c3ccc(F)cc3F)c2nc1C
InChIInChI=1S/C26H26F2N6O/c1-14-11-33(13-23(35-14)17-10-29-34(12-17)19-5-6-19)24-9-22-26(31-16(3)15(2)30-22)25(32-24)20-7-4-18(27)8-21(20)28/h4,7-10,12,14,19,23H,5-6,11,13H2,1-3H3/t14-,23-/m0/s1
InChIKeyLZJNEBXNAXSUCB-PSLXWICFSA-N
XLogP5.08
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.53
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine?
The IUPAC name of (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine (CID 157044356) is (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine.
What is the SMILES notation for (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine?
The canonical SMILES for (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine is Cc1nc2cc(N3C[C@@H](c4cnn(C5CC5)c4)O[C@@H](C)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine?
The InChIKey is LZJNEBXNAXSUCB-PSLXWICFSA-N. The full InChI is InChI=1S/C26H26F2N6O/c1-14-11-33(13-23(35-14)17-10-29-34(12-17)19-5-6-19)24-9-22-26(31-16(3)15(2)30-22)25(32-24)20-7-4-18(27)8-21(20)28/h4,7-10,12,14,19,23H,5-6,11,13H2,1-3H3/t14-,23-/m0/s1.
What are the key properties of (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine?
(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine has a molecular weight of 476.53 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine is sourced from PubChem (CID 157044356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).