3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

C28H27N3O3S — CID 26137700

IUPAC3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCc3c(cc(-c4cccc5ccsc45)c(=O)n3CC3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C28H27N3O3S/c1-16-12-17(2)29-26(32)24(16)28(34)30-10-8-23-20(15-30)13-22(27(33)31(23)14-18-6-7-18)21-5-3-4-19-9-11-35-25(19)21/h3-5,9,11-13,18H,6-8,10,14-15H2,1-2H3,(H,29,32)
InChIKeyLICFKZAQMNHPON-UHFFFAOYSA-N
MW485.61 g/mol
LogP4.64
Rot. Bonds4

About 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one

3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 26137700) has the molecular formula C28H27N3O3S and a molecular weight of 485.61 g/mol. Its IUPAC name is 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID26137700
Molecular FormulaC28H27N3O3S
Molecular Weight485.61 g/mol
Exact Mass485.18
IUPAC Name3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCc1cc(C)c(C(=O)N2CCc3c(cc(-c4cccc5ccsc45)c(=O)n3CC3CC3)C2)c(=O)[nH]1
InChIInChI=1S/C28H27N3O3S/c1-16-12-17(2)29-26(32)24(16)28(34)30-10-8-23-20(15-30)13-22(27(33)31(23)14-18-6-7-18)21-5-3-4-19-9-11-35-25(19)21/h3-5,9,11-13,18H,6-8,10,14-15H2,1-2H3,(H,29,32)
InChIKeyLICFKZAQMNHPON-UHFFFAOYSA-N
XLogP4.64
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.61
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-[(1R,2R)-2-phenylcyclopropanecarbonyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26141745
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-[(3S)-thiolan-3-yl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26140353
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(1-propylpiperidin-4-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26225062
1-(cyclopropylmethyl)-3-(2,3-dimethoxyphenyl)-6-(6-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26141341
1-(cyclopropylmethyl)-3-(2-methylquinolin-5-yl)-6-(spiro[2.3]hexane-2-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 45161009
1-(cyclopropylmethyl)-3-(1,2-dimethyl-3,4-dihydro-2H-quinolin-5-yl)-6-(1-methyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 170591461
3-[(3S,4S)-3-hydroxy-4-phenylpiperidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 163306352
4,6-dimethyl-3-(3-phenyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepine-7-carbonyl)-1H-pyridin-2-one
CID 70717090
6-(5-acetyl-2,4-dimethyl-1H-pyrrole-3-carbonyl)-3-(1-benzothiophen-3-yl)-1-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 26222929
4-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-1-methylpiperazine-2-carboxylic acid
CID 56705242
2-[1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)piperidin-3-yl]acetic acid
CID 62691283
3-[(3S,4R)-3-hydroxy-4-(pyridin-2-ylmethyl)pyrrolidine-1-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 134696964

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 26137700) is 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is Cc1cc(C)c(C(=O)N2CCc3c(cc(-c4cccc5ccsc45)c(=O)n3CC3CC3)C2)c(=O)[nH]1.
What is the InChIKey of 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is LICFKZAQMNHPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3S/c1-16-12-17(2)29-26(32)24(16)28(34)30-10-8-23-20(15-30)13-22(27(33)31(23)14-18-6-7-18)21-5-3-4-19-9-11-35-25(19)21/h3-5,9,11-13,18H,6-8,10,14-15H2,1-2H3,(H,29,32).
What are the key properties of 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 485.61 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-7-yl)-1-(cyclopropylmethyl)-6-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 26137700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).