7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

C14H17N5O — CID 72845356

IUPAC7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)n1cc(C2CC(=O)Nc3nc(N)ccc32)cn1
InChIInChI=1S/C14H17N5O/c1-8(2)19-7-9(6-16-19)11-5-13(20)18-14-10(11)3-4-12(15)17-14/h3-4,6-8,11H,5H2,1-2H3,(H3,15,17,18,20)
InChIKeyQNDGABXSXKMBPH-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.92
Rot. Bonds2

About 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one

7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 72845356) has the molecular formula C14H17N5O and a molecular weight of 271.32 g/mol. Its IUPAC name is 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID72845356
Molecular FormulaC14H17N5O
Molecular Weight271.32 g/mol
Exact Mass271.14
IUPAC Name7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCC(C)n1cc(C2CC(=O)Nc3nc(N)ccc32)cn1
InChIInChI=1S/C14H17N5O/c1-8(2)19-7-9(6-16-19)11-5-13(20)18-14-10(11)3-4-12(15)17-14/h3-4,6-8,11H,5H2,1-2H3,(H3,15,17,18,20)
InChIKeyQNDGABXSXKMBPH-UHFFFAOYSA-N
XLogP1.92
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-amino-4-(2-ethylsulfanylpyrimidin-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72849270
(4S)-7-amino-4-(1,3,5-trimethylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97205731
7-amino-4-[4-methoxy-3-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72885591
7-amino-4-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 169419561
(4R)-7-amino-4-[2-(pyrazol-1-ylmethyl)phenyl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 97117619
7-amino-4-[5-(1H-pyrazol-5-yl)thiophen-2-yl]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 72841266
(4S)-4-(3-methoxyphenyl)-1-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136887725
2-methyl-4-(4-phenylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421402
(2R)-2-methyl-9-(1-propan-2-ylpyrazol-4-yl)-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 121278114
4-(1,3-dimethylpyrazol-4-yl)-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 169421577
6-(1-propan-2-ylpyrazol-4-yl)oxypyridazin-3-amine
CID 116805850
2-methyl-4-(4-pyridin-3-ylphenyl)-5,7-dihydro-4H-pyrazolo[3,4-b]pyridin-6-one
CID 171910545

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 72845356) is 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is CC(C)n1cc(C2CC(=O)Nc3nc(N)ccc32)cn1.
What is the InChIKey of 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is QNDGABXSXKMBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O/c1-8(2)19-7-9(6-16-19)11-5-13(20)18-14-10(11)3-4-12(15)17-14/h3-4,6-8,11H,5H2,1-2H3,(H3,15,17,18,20).
What are the key properties of 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one?
7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-(1-propan-2-ylpyrazol-4-yl)-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 72845356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).