N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride

C24H28Cl2N4O2S — CID 68907144

About N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride

N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 68907144) has the molecular formula C24H28Cl2N4O2S and a molecular weight of 507.49 g/mol. Its IUPAC name is N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 68907144
• Molecular Formula: C24H28Cl2N4O2S
• Molecular Weight: 507.49 g/mol
• Exact Mass: 506.13
• IUPAC Name: N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride
• SMILES: CN1CCc2cc(C(=O)N[C@@H]3CCCCC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl
• InChI: InChI=1S/C24H27ClN4O2S.ClH/c1-29-9-8-14-12-21(32-22(14)13-29)24(31)28-19-5-3-2-4-18(19)27-23(30)20-11-15-10-16(25)6-7-17(15)26-20;/h6-7,10-12,18-19,26H,2-5,8-9,13H2,1H3,(H,27,30)(H,28,31);1H/t18?,19-;/m1./s1
• InChIKey: WRUVIRWHKLIJFP-SQTGWKPBSA-N
• XLogP: 4.76
• TPSA: 77.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.49
LogP ≤ 5	4.76
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride (CID 68907144) is N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2cc(C(=O)N[C@@H]3CCCCC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1.Cl.

What is the InChIKey of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride?

The InChIKey is WRUVIRWHKLIJFP-SQTGWKPBSA-N. The full InChI is InChI=1S/C24H27ClN4O2S.ClH/c1-29-9-8-14-12-21(32-22(14)13-29)24(31)28-19-5-3-2-4-18(19)27-23(30)20-11-15-10-16(25)6-7-17(15)26-20;/h6-7,10-12,18-19,26H,2-5,8-9,13H2,1H3,(H,27,30)(H,28,31);1H/t18?,19-;/m1./s1.

What are the key properties of N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride?

N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 507.49 g/mol, XLogP of 4.76, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-6-methyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 68907144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).