7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide

C26H21Cl2FN2O2S — CID 155125906

About 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide

7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide (PubChem CID 155125906) has the molecular formula C26H21Cl2FN2O2S and a molecular weight of 515.44 g/mol. Its IUPAC name is 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 155125906
• Molecular Formula: C26H21Cl2FN2O2S
• Molecular Weight: 515.44 g/mol
• Exact Mass: 514.07
• IUPAC Name: 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide
• SMILES: CC(C)(F)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(Cl)cc(Cl)c3)cncc12
• InChI: InChI=1S/C26H21Cl2FN2O2S/c1-26(2,29)22-19-13-30-12-18(14-9-15(27)11-16(28)10-14)23(19)34-24(22)25(32)31-20-7-8-33-21-6-4-3-5-17(20)21/h3-6,9-13,20H,7-8H2,1-2H3,(H,31,32)/t20-/m0/s1
• InChIKey: ZUFBKIGINFEWBJ-FQEVSTJZSA-N
• XLogP: 7.73
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.44
LogP ≤ 5	7.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide (CID 155125906) is 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide is CC(C)(F)c1c(C(=O)N[C@H]2CCOc3ccccc32)sc2c(-c3cc(Cl)cc(Cl)c3)cncc12.

What is the InChIKey of 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is ZUFBKIGINFEWBJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H21Cl2FN2O2S/c1-26(2,29)22-19-13-30-12-18(14-9-15(27)11-16(28)10-14)23(19)34-24(22)25(32)31-20-7-8-33-21-6-4-3-5-17(20)21/h3-6,9-13,20H,7-8H2,1-2H3,(H,31,32)/t20-/m0/s1.

What are the key properties of 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide?

7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 515.44 g/mol, XLogP of 7.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-(2-fluoropropan-2-yl)thieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 155125906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).