3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

C26H25FN4O3S — CID 23476227

IUPAC3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5F)c(N)c24)CCN(C)C3)cc1OC
InChIInChI=1S/C26H25FN4O3S/c1-31-11-10-17-15(13-31)21(14-8-9-19(33-2)20(12-14)34-3)22-23(28)24(35-26(22)30-17)25(32)29-18-7-5-4-6-16(18)27/h4-9,12H,10-11,13,28H2,1-3H3,(H,29,32)
InChIKeyWVLYKOCSOPMKGV-UHFFFAOYSA-N
MW492.58 g/mol
LogP4.94
Rot. Bonds5

About 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide

3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide (PubChem CID 23476227) has the molecular formula C26H25FN4O3S and a molecular weight of 492.58 g/mol. Its IUPAC name is 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
PubChem CID23476227
Molecular FormulaC26H25FN4O3S
Molecular Weight492.58 g/mol
Exact Mass492.16
IUPAC Name3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5F)c(N)c24)CCN(C)C3)cc1OC
InChIInChI=1S/C26H25FN4O3S/c1-31-11-10-17-15(13-31)21(14-8-9-19(33-2)20(12-14)34-3)22-23(28)24(35-26(22)30-17)25(32)29-18-7-5-4-6-16(18)27/h4-9,12H,10-11,13,28H2,1-3H3,(H,29,32)
InChIKeyWVLYKOCSOPMKGV-UHFFFAOYSA-N
XLogP4.94
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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-methyl-4-(3,4,5-trimethoxyphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-pyridin-4-ylmethanone
CID 171133235
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-4-(3-methoxyphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridin-2-yl]-(4-chlorophenyl)methanone
CID 23476295
(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
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
(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
3-amino-4-(2,5-dimethoxyphenyl)-N-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 139210820
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-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866587
3-amino-4,6-bis(4-chlorophenyl)-N-(2-methoxyphenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 3132346
3-amino-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2059515

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The IUPAC name of 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) is 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide.
What is the SMILES notation for 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The canonical SMILES for 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is COc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5F)c(N)c24)CCN(C)C3)cc1OC.
What is the InChIKey of 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
The InChIKey is WVLYKOCSOPMKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN4O3S/c1-31-11-10-17-15(13-31)21(14-8-9-19(33-2)20(12-14)34-3)22-23(28)24(35-26(22)30-17)25(32)29-18-7-5-4-6-16(18)27/h4-9,12H,10-11,13,28H2,1-3H3,(H,29,32).
What are the key properties of 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide?
3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(3,4-dimethoxyphenyl)-N-(2-fluorophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide is sourced from PubChem (CID 23476227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).