4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine

C24H27ClF2N6O — CID 70673216

About 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 70673216) has the molecular formula C24H27ClF2N6O and a molecular weight of 488.97 g/mol. Its IUPAC name is 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine
• PubChem CID: 70673216
• Molecular Formula: C24H27ClF2N6O
• Molecular Weight: 488.97 g/mol
• Exact Mass: 488.19
• IUPAC Name: 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine
• SMILES: Cc1c(-c2cnn(CCN3CCOCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCN2
• InChI: InChI=1S/C24H27ClF2N6O/c1-16-18(17-12-30-33(14-17)7-6-31-8-10-34-11-9-31)13-29-24-23(16)32(5-4-28-24)15-19-20(26)2-3-21(27)22(19)25/h2-3,12-14H,4-11,15H2,1H3,(H,28,29)
• InChIKey: KNFXPPPBINHZLY-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 58.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.97
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine?

The IUPAC name of 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine (CID 70673216) is 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine.

What is the SMILES notation for 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine?

The canonical SMILES for 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine is Cc1c(-c2cnn(CCN3CCOCC3)c2)cnc2c1N(Cc1c(F)ccc(F)c1Cl)CCN2.

What is the InChIKey of 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine?

The InChIKey is KNFXPPPBINHZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClF2N6O/c1-16-18(17-12-30-33(14-17)7-6-31-8-10-34-11-9-31)13-29-24-23(16)32(5-4-28-24)15-19-20(26)2-3-21(27)22(19)25/h2-3,12-14H,4-11,15H2,1H3,(H,28,29).

What are the key properties of 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine?

4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 488.97 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[4-[1-[(2-chloro-3,6-difluorophenyl)methyl]-8-methyl-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 70673216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).