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

C21H18N6O — CID 53494670

IUPAC4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCn1nc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c2cccnc21
InChIInChI=1S/C21H18N6O/c1-27-20-14(8-5-10-22-20)19(26-27)25-17-12-16(13-6-3-2-4-7-13)24-15-9-11-23-21(28)18(15)17/h2-8,10,12H,9,11H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyCHSNTVSQTLMNEZ-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.06
Rot. Bonds3

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

4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (PubChem CID 53494670) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
PubChem CID53494670
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one
SMILESCn1nc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c2cccnc21
InChIInChI=1S/C21H18N6O/c1-27-20-14(8-5-10-22-20)19(26-27)25-17-12-16(13-6-3-2-4-7-13)24-15-9-11-23-21(28)18(15)17/h2-8,10,12H,9,11H2,1H3,(H,23,28)(H,24,25,26)
InChIKeyCHSNTVSQTLMNEZ-UHFFFAOYSA-N
XLogP3.06
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The IUPAC name of 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one (CID 53494670) is 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one.
What is the SMILES notation for 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The canonical SMILES for 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is Cn1nc(Nc2cc(-c3ccccc3)nc3c2C(=O)NCC3)c2cccnc21.
What is the InChIKey of 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
The InChIKey is CHSNTVSQTLMNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-27-20-14(8-5-10-22-20)19(26-27)25-17-12-16(13-6-3-2-4-7-13)24-15-9-11-23-21(28)18(15)17/h2-8,10,12H,9,11H2,1H3,(H,23,28)(H,24,25,26).
What are the key properties of 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one?
4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one has a molecular weight of 370.42 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpyrazolo[5,4-b]pyridin-3-yl)amino]-2-phenyl-7,8-dihydro-6H-1,6-naphthyridin-5-one is sourced from PubChem (CID 53494670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).