4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine

C23H25ClF2N6O — CID 58523671

IUPAC4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(F)c(CN2CCCc3ncc(-c4cnn(CCN5CCOCC5)c4)nc32)c1Cl
InChIInChI=1S/C23H25ClF2N6O/c24-22-17(18(25)3-4-19(22)26)15-31-5-1-2-20-23(31)29-21(13-27-20)16-12-28-32(14-16)7-6-30-8-10-33-11-9-30/h3-4,12-14H,1-2,5-11,15H2
InChIKeyVAZGQWJYOZVKAZ-UHFFFAOYSA-N
MW474.94 g/mol
LogP3.56
Rot. Bonds6

About 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine

4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine (PubChem CID 58523671) has the molecular formula C23H25ClF2N6O and a molecular weight of 474.94 g/mol. Its IUPAC name is 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
PubChem CID58523671
Molecular FormulaC23H25ClF2N6O
Molecular Weight474.94 g/mol
Exact Mass474.17
IUPAC Name4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine
SMILESFc1ccc(F)c(CN2CCCc3ncc(-c4cnn(CCN5CCOCC5)c4)nc32)c1Cl
InChIInChI=1S/C23H25ClF2N6O/c24-22-17(18(25)3-4-19(22)26)15-31-5-1-2-20-23(31)29-21(13-27-20)16-12-28-32(14-16)7-6-30-8-10-33-11-9-30/h3-4,12-14H,1-2,5-11,15H2
InChIKeyVAZGQWJYOZVKAZ-UHFFFAOYSA-N
XLogP3.56
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.94
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine (CID 58523671) is 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine is Fc1ccc(F)c(CN2CCCc3ncc(-c4cnn(CCN5CCOCC5)c4)nc32)c1Cl.
What is the InChIKey of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
The InChIKey is VAZGQWJYOZVKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClF2N6O/c24-22-17(18(25)3-4-19(22)26)15-31-5-1-2-20-23(31)29-21(13-27-20)16-12-28-32(14-16)7-6-30-8-10-33-11-9-30/h3-4,12-14H,1-2,5-11,15H2.
What are the key properties of 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine?
4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine has a molecular weight of 474.94 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[5-[(2-chloro-3,6-difluorophenyl)methyl]-7,8-dihydro-6H-pyrido[2,3-b]pyrazin-3-yl]pyrazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 58523671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).