2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde

C23H22N6O2 — CID 118660786

IUPAC2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C5CN(C=O)CCO5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O2/c1-28-12-17(10-26-28)15-2-4-16(5-3-15)19-11-25-23(24)18-6-7-20(27-22(18)19)21-13-29(14-30)8-9-31-21/h2-7,10-12,14,21H,8-9,13H2,1H3,(H2,24,25)
InChIKeyGJJQRKCEIFRILX-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.81
Rot. Bonds4

About 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde

2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde (PubChem CID 118660786) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde
PubChem CID118660786
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde
SMILESCn1cc(-c2ccc(-c3cnc(N)c4ccc(C5CN(C=O)CCO5)nc34)cc2)cn1
InChIInChI=1S/C23H22N6O2/c1-28-12-17(10-26-28)15-2-4-16(5-3-15)19-11-25-23(24)18-6-7-20(27-22(18)19)21-13-29(14-30)8-9-31-21/h2-7,10-12,14,21H,8-9,13H2,1H3,(H2,24,25)
InChIKeyGJJQRKCEIFRILX-UHFFFAOYSA-N
XLogP2.81
TPSA99.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde?
The IUPAC name of 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde (CID 118660786) is 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde.
What is the SMILES notation for 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde?
The canonical SMILES for 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde is Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C5CN(C=O)CCO5)nc34)cc2)cn1.
What is the InChIKey of 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde?
The InChIKey is GJJQRKCEIFRILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-28-12-17(10-26-28)15-2-4-16(5-3-15)19-11-25-23(24)18-6-7-20(27-22(18)19)21-13-29(14-30)8-9-31-21/h2-7,10-12,14,21H,8-9,13H2,1H3,(H2,24,25).
What are the key properties of 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde?
2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde has a molecular weight of 414.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-8-[4-(1-methylpyrazol-4-yl)phenyl]-1,6-naphthyridin-2-yl]morpholine-4-carbaldehyde is sourced from PubChem (CID 118660786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).