7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

C23H22N2OS — CID 122186254

IUPAC7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCCCc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12
InChIInChI=1S/C23H22N2OS/c1-2-3-7-17-14-25-23(24)21-20(15-27-22(17)21)16-10-12-19(13-11-16)26-18-8-5-4-6-9-18/h4-6,8-15H,2-3,7H2,1H3,(H2,24,25)
InChIKeyKJVXUHYJXXXOPH-UHFFFAOYSA-N
MW374.51 g/mol
LogP6.68
Rot. Bonds6

About 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine

7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122186254) has the molecular formula C23H22N2OS and a molecular weight of 374.51 g/mol. Its IUPAC name is 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID122186254
Molecular FormulaC23H22N2OS
Molecular Weight374.51 g/mol
Exact Mass374.15
IUPAC Name7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESCCCCc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12
InChIInChI=1S/C23H22N2OS/c1-2-3-7-17-14-25-23(24)21-20(15-27-22(17)21)16-10-12-19(13-11-16)26-18-8-5-4-6-9-18/h4-6,8-15H,2-3,7H2,1H3,(H2,24,25)
InChIKeyKJVXUHYJXXXOPH-UHFFFAOYSA-N
XLogP6.68
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.51
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-(Furan-2-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 18450866
N-[2-(4-methoxyphenyl)ethyl]-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 23631944
2-[4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]pyrazol-1-yl]-N-methylacetamide
CID 122186261
4-[4-amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]-N,N-dimethylpyrazole-1-sulfonamide
CID 122186262
1-[4-[4-Amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]pyrazol-1-yl]ethanone
CID 122186263
3-(4-Phenoxyphenyl)-7-(1,2,3,6-tetrahydropyridin-4-yl)thieno[3,2-c]pyridin-4-amine
CID 122188633
7-(1-Methylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 122186256
7-(1-Ethylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 122186257
7-(1-Butylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 122186258
7-(1-Benzylpyrazol-4-yl)-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 122186259
7-[1-(3-Methoxypropyl)pyrazol-4-yl]-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
CID 122186260
1-[4-[4-Amino-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-7-yl]pyrazol-1-yl]propan-2-one
CID 122188512

Frequently Asked Questions

What is the IUPAC name of 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 122186254) is 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is CCCCc1cnc(N)c2c(-c3ccc(Oc4ccccc4)cc3)csc12.
What is the InChIKey of 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is KJVXUHYJXXXOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2OS/c1-2-3-7-17-14-25-23(24)21-20(15-27-22(17)21)16-10-12-19(13-11-16)26-18-8-5-4-6-9-18/h4-6,8-15H,2-3,7H2,1H3,(H2,24,25).
What are the key properties of 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 374.51 g/mol, XLogP of 6.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122186254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).