ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide

C27H27N5O2 — CID 144979023

IUPACethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide
SMILESCC.CCC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1C
InChIInChI=1S/C25H21N5O2.C2H6/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29;1-2/h4-15H,3H2,1-2H3,(H,28,31);1-2H3
InChIKeyLMRPCAPOCQXLRH-UHFFFAOYSA-N
MW453.55 g/mol
LogP5.41
Rot. Bonds4

About ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide

ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide (PubChem CID 144979023) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Nameethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide
PubChem CID144979023
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Nameethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide
SMILESCC.CCC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1C
InChIInChI=1S/C25H21N5O2.C2H6/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29;1-2/h4-15H,3H2,1-2H3,(H,28,31);1-2H3
InChIKeyLMRPCAPOCQXLRH-UHFFFAOYSA-N
XLogP5.41
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.55
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide 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

N-[2-chloro-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]acetamide
CID 129048369
N-[2-(difluoromethyl)-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]prop-2-enamide
CID 129098449
N-[5-[9-(1,5-dihydropyrazol-2-yl)-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-ynamide
CID 129058608
[2-methyl-5-(8-methyl-2-oxobenzo[h][1,6]naphthyridin-1-yl)phenyl]urea
CID 155378291
1-(3,4-dimethylphenyl)-9-(4-methylimidazol-1-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525059
1-(4-fluorophenyl)-9-methylbenzo[h][1,6]naphthyridin-2-one
CID 118148099
1-[1-(2,3-dimethylbut-2-enoyl)indol-6-yl]-9-methylbenzo[h][1,6]naphthyridin-2-one
CID 118346211
9-methyl-1-[2-(3-methylbut-2-enoyl)-1,3-dihydroisoindol-5-yl]benzo[h][1,6]naphthyridin-2-one
CID 118148079
ethyl 2-[(2-aminoacetyl)amino]-4-pyrazol-1-ylbenzoate
CID 67747442
1-(3-methylphenyl)-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-2-one
CID 58525137
1-(3-amino-4-methylphenyl)-9-[4-(dimethylamino)piperidin-1-yl]benzo[h][1,6]naphthyridin-2-one
CID 155733831
N-[3-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
CID 118346194

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide?
The IUPAC name of ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide (CID 144979023) is ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide.
What is the SMILES notation for ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide?
The canonical SMILES for ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide is CC.CCC(=O)Nc1cc(-n2c(=O)ccc3cnc4ccc(-n5cccn5)cc4c32)ccc1C.
What is the InChIKey of ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide?
The InChIKey is LMRPCAPOCQXLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O2.C2H6/c1-3-23(31)28-22-14-19(7-5-16(22)2)30-24(32)10-6-17-15-26-21-9-8-18(13-20(21)25(17)30)29-12-4-11-27-29;1-2/h4-15H,3H2,1-2H3,(H,28,31);1-2H3.
What are the key properties of ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide?
ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide has a molecular weight of 453.55 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-methyl-5-(2-oxo-9-pyrazol-1-ylbenzo[h][1,6]naphthyridin-1-yl)phenyl]propanamide is sourced from PubChem (CID 144979023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).