9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one

C27H21N5O — CID 175548586

IUPAC9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCC=Cn1ccc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21
InChIInChI=1S/C27H21N5O/c1-3-11-31-12-10-18-4-7-22(14-25(18)31)32-26(33)9-6-20-15-28-24-8-5-19(13-23(24)27(20)32)21-16-29-30(2)17-21/h3-17H,1-2H3
InChIKeyGPAJNCDMOBHGHQ-UHFFFAOYSA-N
MW431.50 g/mol
LogP5.38
Rot. Bonds3

About 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one

9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one (PubChem CID 175548586) has the molecular formula C27H21N5O and a molecular weight of 431.50 g/mol. Its IUPAC name is 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one.

Molecular Properties

Compound Name9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one
PubChem CID175548586
Molecular FormulaC27H21N5O
Molecular Weight431.50 g/mol
Exact Mass431.17
IUPAC Name9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one
SMILESCC=Cn1ccc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21
InChIInChI=1S/C27H21N5O/c1-3-11-31-12-10-18-4-7-22(14-25(18)31)32-26(33)9-6-20-15-28-24-8-5-19(13-23(24)27(20)32)21-16-29-30(2)17-21/h3-17H,1-2H3
InChIKeyGPAJNCDMOBHGHQ-UHFFFAOYSA-N
XLogP5.38
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.50
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-3-[6-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2,3-dihydroindol-1-yl]propanethial
CID 146249423
N-[2-methyl-5-[9-(1-methylpyrazol-4-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide;9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
CID 144611336
9-(2-aminopyrimidin-5-yl)-1-(3,4-dimethylphenyl)benzo[h][1,6]naphthyridin-2-one
CID 58524950
1-(3,4-dimethylphenyl)-9-(6-methyl-3-pyridinyl)benzo[h][1,6]naphthyridin-2-one
CID 58525011
1-[1-(2,3-dimethylbut-2-enoyl)indol-6-yl]-9-methylbenzo[h][1,6]naphthyridin-2-one
CID 118346211
9-(2-aminopyrimidin-5-yl)-1-(3-chloro-4-fluorophenyl)benzo[h][1,6]naphthyridin-2-one
CID 51351032
N-[4-[1-(4-methyl-3-nitrophenyl)-2-oxobenzo[h][1,6]naphthyridin-9-yl]phenyl]methanesulfonamide
CID 129011312
1-(3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525137
1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
CID 118148099
N-[3-[9-[4-(methanesulfonamido)phenyl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
CID 155367877
N-methyl-N-[3-(2-oxo-9-phenylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide
CID 118346196
1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525059

Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The IUPAC name of 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one (CID 175548586) is 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one.
What is the SMILES notation for 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The canonical SMILES for 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one is CC=Cn1ccc2ccc(-n3c(=O)ccc4cnc5ccc(-c6cnn(C)c6)cc5c43)cc21.
What is the InChIKey of 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
The InChIKey is GPAJNCDMOBHGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O/c1-3-11-31-12-10-18-4-7-22(14-25(18)31)32-26(33)9-6-20-15-28-24-8-5-19(13-23(24)27(20)32)21-16-29-30(2)17-21/h3-17H,1-2H3.
What are the key properties of 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one?
9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one has a molecular weight of 431.50 g/mol, XLogP of 5.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpyrazol-4-yl)-1-(1-prop-1-enylindol-6-yl)benzo[h][1,6]naphthyridin-2-one is sourced from PubChem (CID 175548586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).