2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine

C24H22F2N6O — CID 157044384

IUPAC2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C5CC5)c4)C3)cc2n1
InChIInChI=1S/C24H22F2N6O/c1-14-10-27-24-20(29-14)9-22(30-23(24)18-5-2-16(25)8-19(18)26)31-6-7-33-21(13-31)15-11-28-32(12-15)17-3-4-17/h2,5,8-12,17,21H,3-4,6-7,13H2,1H3
InChIKeyMXCDRPYJADJTQY-UHFFFAOYSA-N
MW448.48 g/mol
LogP4.39
Rot. Bonds4

About 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine

2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine (PubChem CID 157044384) has the molecular formula C24H22F2N6O and a molecular weight of 448.48 g/mol. Its IUPAC name is 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine.

Molecular Properties

Compound Name2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine
PubChem CID157044384
Molecular FormulaC24H22F2N6O
Molecular Weight448.48 g/mol
Exact Mass448.18
IUPAC Name2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine
SMILESCc1cnc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C5CC5)c4)C3)cc2n1
InChIInChI=1S/C24H22F2N6O/c1-14-10-27-24-20(29-14)9-22(30-23(24)18-5-2-16(25)8-19(18)26)31-6-7-33-21(13-31)15-11-28-32(12-15)17-3-4-17/h2,5,8-12,17,21H,3-4,6-7,13H2,1H3
InChIKeyMXCDRPYJADJTQY-UHFFFAOYSA-N
XLogP4.39
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine?
The IUPAC name of 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine (CID 157044384) is 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine.
What is the SMILES notation for 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine?
The canonical SMILES for 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine is Cc1cnc2c(-c3ccc(F)cc3F)nc(N3CCOC(c4cnn(C5CC5)c4)C3)cc2n1.
What is the InChIKey of 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine?
The InChIKey is MXCDRPYJADJTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N6O/c1-14-10-27-24-20(29-14)9-22(30-23(24)18-5-2-16(25)8-19(18)26)31-6-7-33-21(13-31)15-11-28-32(12-15)17-3-4-17/h2,5,8-12,17,21H,3-4,6-7,13H2,1H3.
What are the key properties of 2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine?
2-(1-cyclopropylpyrazol-4-yl)-4-[5-(2,4-difluorophenyl)-2-methylpyrido[3,4-b]pyrazin-7-yl]morpholine has a molecular weight of 448.48 g/mol, XLogP of 4.39, 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-methylpyrido[3,4-b]pyrazin-7-yl]morpholine is sourced from PubChem (CID 157044384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).