7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

C25H28N2O2S — CID 155138476

About 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide

7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (PubChem CID 155138476) has the molecular formula C25H28N2O2S and a molecular weight of 420.58 g/mol. Its IUPAC name is 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
• PubChem CID: 155138476
• Molecular Formula: C25H28N2O2S
• Molecular Weight: 420.58 g/mol
• Exact Mass: 420.19
• IUPAC Name: 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide
• SMILES: CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C3CCCC3)ccnc12
• InChI: InChI=1S/C25H28N2O2S/c1-15(2)21-22-23(17(11-13-26-22)16-7-3-4-8-16)30-24(21)25(28)27-19-12-14-29-20-10-6-5-9-18(19)20/h5-6,9-11,13,15-16,19H,3-4,7-8,12,14H2,1-2H3,(H,27,28)/t19-/m0/s1
• InChIKey: MQBHNKFRRNHEOF-IBGZPJMESA-N
• XLogP: 6.33
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	420.58
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The IUPAC name of 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide (CID 155138476) is 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide.

What is the SMILES notation for 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The canonical SMILES for 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is CC(C)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(C3CCCC3)ccnc12.

What is the InChIKey of 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

The InChIKey is MQBHNKFRRNHEOF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N2O2S/c1-15(2)21-22-23(17(11-13-26-22)16-7-3-4-8-16)30-24(21)25(28)27-19-12-14-29-20-10-6-5-9-18(19)20/h5-6,9-11,13,15-16,19H,3-4,7-8,12,14H2,1-2H3,(H,27,28)/t19-/m0/s1.

What are the key properties of 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide?

7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide has a molecular weight of 420.58 g/mol, XLogP of 6.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclopentyl-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-propan-2-ylthieno[3,2-b]pyridine-2-carboxamide is sourced from PubChem (CID 155138476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).