2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone

C24H23N5O — CID 163357397

IUPAC2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c1
InChIInChI=1S/C24H23N5O/c1-16-4-3-5-17(8-16)9-23(30)29-7-6-22-20(15-29)11-18-10-19(12-25-24(18)27-22)21-13-26-28(2)14-21/h3-5,8,10-14H,6-7,9,15H2,1-2H3
InChIKeySZJNTHLGJUZDBL-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.47
Rot. Bonds3

About 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone

2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone (PubChem CID 163357397) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone
PubChem CID163357397
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone
SMILESCc1cccc(CC(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c1
InChIInChI=1S/C24H23N5O/c1-16-4-3-5-17(8-16)9-23(30)29-7-6-22-20(15-29)11-18-10-19(12-25-24(18)27-22)21-13-26-28(2)14-21/h3-5,8,10-14H,6-7,9,15H2,1-2H3
InChIKeySZJNTHLGJUZDBL-UHFFFAOYSA-N
XLogP3.47
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylpiperazin-1-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
CID 163357367
(2,5-dimethylfuran-3-yl)-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]methanone
CID 163357468
1-[2-(1-acetylpiperidin-3-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-(3-methylphenyl)ethanone
CID 110241475
7-(1-methylimidazol-4-yl)sulfonyl-3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 163357484
1-(5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-(3-methylphenyl)ethanone
CID 71805760
2-[2-(1-methylpyrazol-4-yl)acetyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 136556446
1-(2-ethoxy-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-2-(3-fluorophenyl)ethanone
CID 91917834
3-methyl-7-(2-phenylethyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine
CID 24731725
2-(3-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 161153519
2-(3-fluorophenyl)-1-[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone
CID 91917884
1-(8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-4-phenylbutan-1-one
CID 163350691
(3-methyl-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl)-[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 24731410

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone (CID 163357397) is 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone is Cc1cccc(CC(=O)N2CCc3nc4ncc(-c5cnn(C)c5)cc4cc3C2)c1.
What is the InChIKey of 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone?
The InChIKey is SZJNTHLGJUZDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c1-16-4-3-5-17(8-16)9-23(30)29-7-6-22-20(15-29)11-18-10-19(12-25-24(18)27-22)21-13-26-28(2)14-21/h3-5,8,10-14H,6-7,9,15H2,1-2H3.
What are the key properties of 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone?
2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone has a molecular weight of 397.48 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-[3-(1-methylpyrazol-4-yl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridin-7-yl]ethanone is sourced from PubChem (CID 163357397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).