1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one

C22H15FN4O2 — CID 58525211

IUPAC1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCOc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1F
InChIInChI=1S/C22H15FN4O2/c1-29-20-9-16(4-5-18(20)23)27-21(28)7-3-14-10-24-19-6-2-13(8-17(19)22(14)27)15-11-25-26-12-15/h2-12H,1H3,(H,25,26)
InChIKeyNOTGDSPNADEQQP-UHFFFAOYSA-N
MW386.39 g/mol
LogP4.08
Rot. Bonds3

About 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one

1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 58525211) has the molecular formula C22H15FN4O2 and a molecular weight of 386.39 g/mol. Its IUPAC name is 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
PubChem CID58525211
Molecular FormulaC22H15FN4O2
Molecular Weight386.39 g/mol
Exact Mass386.12
IUPAC Name1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCOc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1F
InChIInChI=1S/C22H15FN4O2/c1-29-20-9-16(4-5-18(20)23)27-21(28)7-3-14-10-24-19-6-2-13(8-17(19)22(14)27)15-11-25-26-12-15/h2-12H,1H3,(H,25,26)
InChIKeyNOTGDSPNADEQQP-UHFFFAOYSA-N
XLogP4.08
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.39
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-N'-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]propanediamide
CID 141764130
6-(3-Methoxyphenyl)-2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]pyridazin-3-one
CID 168270285
(E)-N,N-dimethyl-4-[2-[5-[(Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-enyl]pyridin-2-yl]oxyethylamino]but-2-enamide
CID 124091040
7-Methoxy-4-(1-phenylpyrazol-4-yl)quinoline
CID 60150507
[4-(1-phenylpyrazol-4-yl)quinolin-7-yl] N,N-diethylcarbamate
CID 70689822
4-[(7-methoxyquinolin-4-yl)amino]-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrazole-5-carboxamide
CID 137631909
7-methoxy-N-(1H-pyrazol-5-ylmethyl)quinoline-3-carboxamide
CID 155533894
2-[2-[3-(1-Methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-[3-(trifluoromethoxy)phenyl]pyridazin-3-one
CID 168282179
3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-4-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847639
3-fluoro-4-[7-methoxy-3-methyl-2-oxo-8-(1H-pyrazol-5-yl)imidazo[4,5-c]quinolin-1-yl]benzonitrile
CID 56847641
N-[[4-(8-fluoroquinolin-4-yl)oxycyclohexyl]methyl]-1H-pyrazole-5-carboxamide
CID 72944198
6-(2-fluoro-3-methoxyphenyl)-N-(1H-indazol-4-yl)quinolin-4-amine
CID 86766645

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one (CID 58525211) is 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is COc1cc(-n2c(=O)ccc3cnc4ccc(-c5cn[nH]c5)cc4c32)ccc1F.
What is the InChIKey of 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is NOTGDSPNADEQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN4O2/c1-29-20-9-16(4-5-18(20)23)27-21(28)7-3-14-10-24-19-6-2-13(8-17(19)22(14)27)15-11-25-26-12-15/h2-12H,1H3,(H,25,26).
What are the key properties of 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one?
1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 386.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-3-methoxyphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 58525211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).