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

C26H26F2N6O — CID 157045015

IUPAC2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
SMILESCc1nc2cc(N3CC(C)OC(c4cnn(C5CC5)c4)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
InChIKeyLZJNEBXNAXSUCB-UHFFFAOYSA-N
MW476.53 g/mol
LogP5.08
Rot. Bonds4

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

2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine (PubChem CID 157045015) has the molecular formula C26H26F2N6O and a molecular weight of 476.53 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine.

Molecular Properties

Compound Name2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
PubChem CID157045015
Molecular FormulaC26H26F2N6O
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine
SMILESCc1nc2cc(N3CC(C)OC(c4cnn(C5CC5)c4)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
InChIKeyLZJNEBXNAXSUCB-UHFFFAOYSA-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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Related Compounds

7-[(2S,4R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methyloxan-4-yl]-5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazine
CID 157045817
7-[(2R,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-5-(2,4-difluorophenyl)-2-methylpyrido[3,4-d]pyridazin-1-one
CID 170182310
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6,7-bis(trideuteriomethyl)pteridin-2-yl]-6-methylmorpholine
CID 166121864
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[7-(2,4-difluorophenyl)thieno[3,2-b]pyridin-5-yl]-6-methylmorpholine
CID 172592984
(2R,6S)-4-[8-(4-chloro-2-fluorophenyl)-2,3-dimethylpyrido[2,3-b]pyrazin-6-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 166122080
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-(2,4-difluorophenyl)-6-methyl-7-propylpteridin-2-yl]-6-methylmorpholine
CID 166123073
(2R,6S)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157044918
(2R,6R)-4-[4-(4-chloro-2-fluorophenyl)-6,7-dimethylpteridin-2-yl]-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholine
CID 157045344
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-4-[6-(2,4-difluorophenyl)-7-methylpurin-2-yl]-6-methylmorpholine
CID 168887841
(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-4-[4-[2-fluoro-4-(trifluoromethyl)phenyl]-6,7-dimethylpteridin-2-yl]-6-methylmorpholine
CID 166122547
6-[(2S,6R)-2-(1-cyclopropylpyrazol-4-yl)-6-methylmorpholin-4-yl]-8-(2,4-difluorophenyl)-3-methyl-2-(trifluoromethyl)pyrimido[5,4-d]pyrimidin-4-one
CID 170711577
(2R,6S)-4-[4-(2,4-difluorophenyl)-6,7-dimethylpteridin-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)morpholine
CID 166121706

Frequently Asked Questions

What is the IUPAC name of 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 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine (CID 157045015) is 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 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 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine is Cc1nc2cc(N3CC(C)OC(c4cnn(C5CC5)c4)C3)nc(-c3ccc(F)cc3F)c2nc1C.
What is the InChIKey of 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-UHFFFAOYSA-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.
What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2,3-dimethylpyrido[3,4-b]pyrazin-7-yl]-6-methylmorpholine?
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 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 157045015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).