(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone

C32H24N2O2S — CID 35583177

IUPAC(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4cccc5ccccc45)c3c2N)cc1
InChIInChI=1S/C32H24N2O2S/c1-2-36-23-17-15-22(16-18-23)30(35)31-29(33)28-26(25-14-8-12-20-9-6-7-13-24(20)25)19-27(34-32(28)37-31)21-10-4-3-5-11-21/h3-19H,2,33H2,1H3
InChIKeyIVYAKBSREKXXGU-UHFFFAOYSA-N
MW500.62 g/mol
LogP8.00
Rot. Bonds6

About (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone

(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone (PubChem CID 35583177) has the molecular formula C32H24N2O2S and a molecular weight of 500.62 g/mol. Its IUPAC name is (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone
PubChem CID35583177
Molecular FormulaC32H24N2O2S
Molecular Weight500.62 g/mol
Exact Mass500.16
IUPAC Name(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4cccc5ccccc45)c3c2N)cc1
InChIInChI=1S/C32H24N2O2S/c1-2-36-23-17-15-22(16-18-23)30(35)31-29(33)28-26(25-14-8-12-20-9-6-7-13-24(20)25)19-27(34-32(28)37-31)21-10-4-3-5-11-21/h3-19H,2,33H2,1H3
InChIKeyIVYAKBSREKXXGU-UHFFFAOYSA-N
XLogP8.00
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 58.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone with MolForge

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Related Compounds

ethyl 3-amino-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 1040515
3-amino-N-(2,4-dimethoxyphenyl)-6-(4-ethoxyphenyl)-4-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 3133270
[3-amino-6-(4-fluorophenyl)-4-phenylthieno[2,3-b]pyridin-2-yl]-phenylmethanone
CID 5230190
ethyl 3-amino-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxylate
CID 15681722
3-amino-N-(4-ethoxyphenyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 1341827
4-[3-amino-4-(4-methoxyphenyl)-6-naphthalen-1-ylthieno[2,3-b]pyridine-2-carbonyl]-3-methyl-2H-oxadiazol-3-ium-5-one
CID 53296844
3-amino-N-benzyl-4-(4-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23830081
3-amino-4,6-diphenylthieno[2,3-b]pyridine-2-carboxylic acid
CID 683021
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(4-methylphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23801341
3-amino-4-(2,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 23743001
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
CID 1005350
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-ethoxyphenyl)methanone
CID 23971387

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone (CID 35583177) is (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4cccc5ccccc45)c3c2N)cc1.
What is the InChIKey of (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone?
The InChIKey is IVYAKBSREKXXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2O2S/c1-2-36-23-17-15-22(16-18-23)30(35)31-29(33)28-26(25-14-8-12-20-9-6-7-13-24(20)25)19-27(34-32(28)37-31)21-10-4-3-5-11-21/h3-19H,2,33H2,1H3.
What are the key properties of (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone?
(3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone has a molecular weight of 500.62 g/mol, XLogP of 8.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-naphthalen-1-yl-6-phenylthieno[2,3-b]pyridin-2-yl)-(4-ethoxyphenyl)methanone is sourced from PubChem (CID 35583177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).