2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one

C27H28N4O2S — CID 66673316

About 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one

2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one (PubChem CID 66673316) has the molecular formula C27H28N4O2S and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one.

Molecular Properties

• Compound Name: 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one
• PubChem CID: 66673316
• Molecular Formula: C27H28N4O2S
• Molecular Weight: 472.61 g/mol
• Exact Mass: 472.19
• IUPAC Name: 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one
• SMILES: CN(C)[C@H]1CCN(c2ccc(-n3ccc4cc(-c5ccc(OC6CC6)cc5)sc4c3=O)cn2)C1
• InChI: InChI=1S/C27H28N4O2S/c1-29(2)21-12-13-30(17-21)25-10-5-20(16-28-25)31-14-11-19-15-24(34-26(19)27(31)32)18-3-6-22(7-4-18)33-23-8-9-23/h3-7,10-11,14-16,21,23H,8-9,12-13,17H2,1-2H3/t21-/m0/s1
• InChIKey: FRQBRAUWMCJROZ-NRFANRHFSA-N
• XLogP: 4.80
• TPSA: 50.60 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.61
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one?

The IUPAC name of 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one (CID 66673316) is 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one.

What is the SMILES notation for 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one?

The canonical SMILES for 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one is CN(C)[C@H]1CCN(c2ccc(-n3ccc4cc(-c5ccc(OC6CC6)cc5)sc4c3=O)cn2)C1.

What is the InChIKey of 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one?

The InChIKey is FRQBRAUWMCJROZ-NRFANRHFSA-N. The full InChI is InChI=1S/C27H28N4O2S/c1-29(2)21-12-13-30(17-21)25-10-5-20(16-28-25)31-14-11-19-15-24(34-26(19)27(31)32)18-3-6-22(7-4-18)33-23-8-9-23/h3-7,10-11,14-16,21,23H,8-9,12-13,17H2,1-2H3/t21-/m0/s1.

What are the key properties of 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one?

2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one has a molecular weight of 472.61 g/mol, XLogP of 4.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropyloxyphenyl)-6-[6-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 66673316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).