[3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone

C26H26N4O4S — CID 171133235

IUPAC[3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone
SMILESCOc1cc(-c2c3c(nc4sc(C(=O)c5ccncc5)c(N)c24)CCN(C)C3)cc(OC)c1OC
InChIInChI=1S/C26H26N4O4S/c1-30-10-7-17-16(13-30)20(15-11-18(32-2)24(34-4)19(12-15)33-3)21-22(27)25(35-26(21)29-17)23(31)14-5-8-28-9-6-14/h5-6,8-9,11-12H,7,10,13,27H2,1-4H3
InChIKeyPAVDLJCQFZZKOP-UHFFFAOYSA-N
MW490.59 g/mol
LogP4.19
Rot. Bonds6

About [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone

[3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone (PubChem CID 171133235) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone
PubChem CID171133235
Molecular FormulaC26H26N4O4S
Molecular Weight490.59 g/mol
Exact Mass490.17
IUPAC Name[3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone
SMILESCOc1cc(-c2c3c(nc4sc(C(=O)c5ccncc5)c(N)c24)CCN(C)C3)cc(OC)c1OC
InChIInChI=1S/C26H26N4O4S/c1-30-10-7-17-16(13-30)20(15-11-18(32-2)24(34-4)19(12-15)33-3)21-22(27)25(35-26(21)29-17)23(31)14-5-8-28-9-6-14/h5-6,8-9,11-12H,7,10,13,27H2,1-4H3
InChIKeyPAVDLJCQFZZKOP-UHFFFAOYSA-N
XLogP4.19
TPSA99.80 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.59
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone with MolForge

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Related Compounds

[3-amino-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone
CID 23476295
3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 23476227
(3-amino-4-pyridin-4-yl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-methoxyphenyl)methanone
CID 42648256
(2-methylphenyl) 3-amino-4-(2,3-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxylate
CID 23476240
(2-methylphenyl) 3-amino-4-(2,5-dimethoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxylate
CID 23476369
methyl 3-amino-2-(4-methoxybenzoyl)-6-methyl-4-(3,4,5-trimethoxyphenyl)thieno[2,3-b]pyridine-5-carboxylate
CID 90469290
(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 56694415
1-(3-amino-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)ethanone
CID 11988170
3-amino-N-(2-fluorophenyl)-4-(2-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 23476307
(3-amino-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 57149622
N-(4-acetylphenyl)-3-amino-6-methyl-4-phenyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 11988193
3-amino-N-(4-chlorophenyl)-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 5209201

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone (CID 171133235) is [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone is COc1cc(-c2c3c(nc4sc(C(=O)c5ccncc5)c(N)c24)CCN(C)C3)cc(OC)c1OC.
What is the InChIKey of [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone?
The InChIKey is PAVDLJCQFZZKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-30-10-7-17-16(13-30)20(15-11-18(32-2)24(34-4)19(12-15)33-3)21-22(27)25(35-26(21)29-17)23(31)14-5-8-28-9-6-14/h5-6,8-9,11-12H,7,10,13,27H2,1-4H3.
What are the key properties of [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone?
[3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone has a molecular weight of 490.59 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 171133235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).