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

C20H16N6O — CID 53494669

IUPAC2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3[nH]nc4ncccc34)c21
InChIInChI=1S/C20H16N6O/c27-20-17-14(8-10-22-20)23-15(12-5-2-1-3-6-12)11-16(17)24-19-13-7-4-9-21-18(13)25-26-19/h1-7,9,11H,8,10H2,(H,22,27)(H2,21,23,24,25,26)
InChIKeyLVTZQUZPGIZBBL-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.05
Rot. Bonds3

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

2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494669) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494669
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC Name2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESO=C1NCCc2nc(-c3ccccc3)cc(Nc3[nH]nc4ncccc34)c21
InChIInChI=1S/C20H16N6O/c27-20-17-14(8-10-22-20)23-15(12-5-2-1-3-6-12)11-16(17)24-19-13-7-4-9-21-18(13)25-26-19/h1-7,9,11H,8,10H2,(H,22,27)(H2,21,23,24,25,26)
InChIKeyLVTZQUZPGIZBBL-UHFFFAOYSA-N
XLogP3.05
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494669) is 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is O=C1NCCc2nc(-c3ccccc3)cc(Nc3[nH]nc4ncccc34)c21.
What is the InChIKey of 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is LVTZQUZPGIZBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c27-20-17-14(8-10-22-20)23-15(12-5-2-1-3-6-12)11-16(17)24-19-13-7-4-9-21-18(13)25-26-19/h1-7,9,11H,8,10H2,(H,22,27)(H2,21,23,24,25,26).
What are the key properties of 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one?
2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 356.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(2H-pyrazolo[3,4-b]pyridin-3-ylamino)-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).