ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine

C33H29N3OS — CID 143138154

IUPACethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine
SMILESCC.c1ccc(COc2cncc(-c3cc4c(Nc5ccc(-c6ccccc6)cc5)cncc4s3)c2)cc1
InChIInChI=1S/C31H23N3OS.C2H6/c1-3-7-22(8-4-1)21-35-27-15-25(17-32-18-27)30-16-28-29(19-33-20-31(28)36-30)34-26-13-11-24(12-14-26)23-9-5-2-6-10-23;1-2/h1-20,34H,21H2;1-2H3
InChIKeyDUTCJQFLHBXCTF-UHFFFAOYSA-N
MW515.68 g/mol
LogP9.37
Rot. Bonds7

About ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine

ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine (PubChem CID 143138154) has the molecular formula C33H29N3OS and a molecular weight of 515.68 g/mol. Its IUPAC name is ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine.

Molecular Properties

Compound Nameethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine
PubChem CID143138154
Molecular FormulaC33H29N3OS
Molecular Weight515.68 g/mol
Exact Mass515.20
IUPAC Nameethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine
SMILESCC.c1ccc(COc2cncc(-c3cc4c(Nc5ccc(-c6ccccc6)cc5)cncc4s3)c2)cc1
InChIInChI=1S/C31H23N3OS.C2H6/c1-3-7-22(8-4-1)21-35-27-15-25(17-32-18-27)30-16-28-29(19-33-20-31(28)36-30)34-26-13-11-24(12-14-26)23-9-5-2-6-10-23;1-2/h1-20,34H,21H2;1-2H3
InChIKeyDUTCJQFLHBXCTF-UHFFFAOYSA-N
XLogP9.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.68
LogP ≤ 59.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-[(2S)-2-amino-3-[(5-{thieno[2,3-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 10216158
3-[(2S)-2-amino-3-(1-benzothiophen-3-yl)propoxy]-5-[(E)-2-(pyridin-4-yl)ethenyl]pyridine
CID 10287346
3-[(2S)-2-amino-3-[(5-{thieno[3,2-c]pyridin-2-yl}pyridin-3-yl)oxy]propyl]-1H-indole
CID 23647539
1-(1H-indol-3-yl)-3-[(5-thieno[3,2-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 49830599
1-(1H-indol-3-yl)-3-[(5-thieno[2,3-c]pyridin-2-yl-3-pyridinyl)oxy]propan-2-amine
CID 22607792
4-[4-(4-Methoxy-2-pyridin-4-ylthieno[3,2-c]pyridin-7-yl)phenyl]morpholine
CID 56680584
4-[(3-methyl-1-benzothiophen-2-yl)methyl]-N-(6-pyridin-3-yloxy-3-pyridinyl)piperazine-1-carboxamide
CID 45269105
3-Fluoro-4-[2-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]thieno[3,2-b]pyridin-7-yl]oxyaniline
CID 68224080
2-[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]-N-(2-methoxyethyl)ethanamine
CID 68231077
N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 70847056
N-[[6-[7-(3-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]-2-methoxyethanamine
CID 71286426
2-ethoxy-N-[[6-[7-(2-fluoro-4-methylphenoxy)thieno[3,2-b]pyridin-2-yl]-3-pyridinyl]methyl]ethanamine
CID 71286429

Frequently Asked Questions

What is the IUPAC name of ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine?
The IUPAC name of ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine (CID 143138154) is ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine.
What is the SMILES notation for ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine?
The canonical SMILES for ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine is CC.c1ccc(COc2cncc(-c3cc4c(Nc5ccc(-c6ccccc6)cc5)cncc4s3)c2)cc1.
What is the InChIKey of ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine?
The InChIKey is DUTCJQFLHBXCTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23N3OS.C2H6/c1-3-7-22(8-4-1)21-35-27-15-25(17-32-18-27)30-16-28-29(19-33-20-31(28)36-30)34-26-13-11-24(12-14-26)23-9-5-2-6-10-23;1-2/h1-20,34H,21H2;1-2H3.
What are the key properties of ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine?
ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine has a molecular weight of 515.68 g/mol, XLogP of 9.37, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(5-phenylmethoxy-3-pyridinyl)-N-(4-phenylphenyl)thieno[2,3-c]pyridin-4-amine is sourced from PubChem (CID 143138154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).