2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one

C26H20N6O — CID 53494800

IUPAC2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3nn(-c4ccccc4)c4ncccc34)c21
InChIInChI=1S/C26H20N6O/c33-26-23-20(13-15-28-26)29-21(17-8-3-1-4-9-17)16-22(23)30-24-19-12-7-14-27-25(19)32(31-24)18-10-5-2-6-11-18/h1-12,14,16H,13,15H2,(H,28,33)(H,29,30,31)
InChIKeySBSKUZAZXWGPEX-UHFFFAOYSA-N
MW432.49 g/mol
LogP4.51
Rot. Bonds4

About 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one

2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494800) has the molecular formula C26H20N6O and a molecular weight of 432.49 g/mol. Its IUPAC name is 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494800
Molecular FormulaC26H20N6O
Molecular Weight432.49 g/mol
Exact Mass432.17
IUPAC Name2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3nn(-c4ccccc4)c4ncccc34)c21
InChIInChI=1S/C26H20N6O/c33-26-23-20(13-15-28-26)29-21(17-8-3-1-4-9-17)16-22(23)30-24-19-12-7-14-27-25(19)32(31-24)18-10-5-2-6-11-18/h1-12,14,16H,13,15H2,(H,28,33)(H,29,30,31)
InChIKeySBSKUZAZXWGPEX-UHFFFAOYSA-N
XLogP4.51
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494800) is 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccccc3)cc(Nc3nn(-c4ccccc4)c4ncccc34)c21.
What is the InChIKey of 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is SBSKUZAZXWGPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O/c33-26-23-20(13-15-28-26)29-21(17-8-3-1-4-9-17)16-22(23)30-24-19-12-7-14-27-25(19)32(31-24)18-10-5-2-6-11-18/h1-12,14,16H,13,15H2,(H,28,33)(H,29,30,31).
What are the key properties of 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 432.49 g/mol, XLogP of 4.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-[(1-phenylpyrazolo[5,4-b]pyridin-3-yl)amino]-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).