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

C22H18N2OS — CID 122186250

IUPAC7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(C2CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C22H18N2OS/c23-22-20-19(13-26-21(20)18(12-24-22)14-6-7-14)15-8-10-17(11-9-15)25-16-4-2-1-3-5-16/h1-5,8-14H,6-7H2,(H2,23,24)
InChIKeyVNZCZODKIHFFCH-UHFFFAOYSA-N
MW358.47 g/mol
LogP6.22
Rot. Bonds4

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

7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (PubChem CID 122186250) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.

Molecular Properties

Compound Name7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
PubChem CID122186250
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC Name7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine
SMILESNc1ncc(C2CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C22H18N2OS/c23-22-20-19(13-26-21(20)18(12-24-22)14-6-7-14)15-8-10-17(11-9-15)25-16-4-2-1-3-5-16/h1-5,8-14H,6-7H2,(H2,23,24)
InChIKeyVNZCZODKIHFFCH-UHFFFAOYSA-N
XLogP6.22
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The IUPAC name of 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine (CID 122186250) is 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine.
What is the SMILES notation for 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The canonical SMILES for 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is Nc1ncc(C2CC2)c2scc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
The InChIKey is VNZCZODKIHFFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c23-22-20-19(13-26-21(20)18(12-24-22)14-6-7-14)15-8-10-17(11-9-15)25-16-4-2-1-3-5-16/h1-5,8-14H,6-7H2,(H2,23,24).
What are the key properties of 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine?
7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine has a molecular weight of 358.47 g/mol, XLogP of 6.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropyl-3-(4-phenoxyphenyl)thieno[3,2-c]pyridin-4-amine is sourced from PubChem (CID 122186250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).