2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde

C24H23F2N5O2 — CID 87265072

IUPAC2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC(c2ccc(-c3cnc4c(c3)N(Cc3cc(F)ccc3F)CCN4)cn2)C1
InChIInChI=1S/C24H23F2N5O2/c25-19-2-3-20(26)18(9-19)13-31-6-5-27-24-22(31)10-17(12-29-24)16-1-4-21(28-11-16)23-14-30(15-32)7-8-33-23/h1-4,9-12,15,23H,5-8,13-14H2,(H,27,29)
InChIKeyJTZVLCWUYVSSKZ-UHFFFAOYSA-N
MW451.48 g/mol
LogP3.38
Rot. Bonds5

About 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde

2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde (PubChem CID 87265072) has the molecular formula C24H23F2N5O2 and a molecular weight of 451.48 g/mol. Its IUPAC name is 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde
PubChem CID87265072
Molecular FormulaC24H23F2N5O2
Molecular Weight451.48 g/mol
Exact Mass451.18
IUPAC Name2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC(c2ccc(-c3cnc4c(c3)N(Cc3cc(F)ccc3F)CCN4)cn2)C1
InChIInChI=1S/C24H23F2N5O2/c25-19-2-3-20(26)18(9-19)13-31-6-5-27-24-22(31)10-17(12-29-24)16-1-4-21(28-11-16)23-14-30(15-32)7-8-33-23/h1-4,9-12,15,23H,5-8,13-14H2,(H,27,29)
InChIKeyJTZVLCWUYVSSKZ-UHFFFAOYSA-N
XLogP3.38
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde?
The IUPAC name of 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde (CID 87265072) is 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde.
What is the SMILES notation for 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde?
The canonical SMILES for 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde is O=CN1CCOC(c2ccc(-c3cnc4c(c3)N(Cc3cc(F)ccc3F)CCN4)cn2)C1.
What is the InChIKey of 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde?
The InChIKey is JTZVLCWUYVSSKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F2N5O2/c25-19-2-3-20(26)18(9-19)13-31-6-5-27-24-22(31)10-17(12-29-24)16-1-4-21(28-11-16)23-14-30(15-32)7-8-33-23/h1-4,9-12,15,23H,5-8,13-14H2,(H,27,29).
What are the key properties of 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde?
2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde has a molecular weight of 451.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[1-[(2,5-difluorophenyl)methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]-2-pyridinyl]morpholine-4-carbaldehyde is sourced from PubChem (CID 87265072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).