N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

C23H25ClN4O2S — CID 66786586

About N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (PubChem CID 66786586) has the molecular formula C23H25ClN4O2S and a molecular weight of 457.00 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
• PubChem CID: 66786586
• Molecular Formula: C23H25ClN4O2S
• Molecular Weight: 457.00 g/mol
• Exact Mass: 456.14
• IUPAC Name: N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide
• SMILES: NC1(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCCCC1NC(=O)c1cc2c(s1)CCNC2
• InChI: InChI=1S/C23H25ClN4O2S/c24-15-4-5-16-13(9-15)10-17(27-16)21(29)23(25)7-2-1-3-20(23)28-22(30)19-11-14-12-26-8-6-18(14)31-19/h4-5,9-11,20,26-27H,1-3,6-8,12,25H2,(H,28,30)
• InChIKey: FOFSNCKGYOVOJR-UHFFFAOYSA-N
• XLogP: 3.78
• TPSA: 100.01 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	457.00
LogP ≤ 5	3.78
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide (CID 66786586) is N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is NC1(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCCCC1NC(=O)c1cc2c(s1)CCNC2.

What is the InChIKey of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

The InChIKey is FOFSNCKGYOVOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O2S/c24-15-4-5-16-13(9-15)10-17(27-16)21(29)23(25)7-2-1-3-20(23)28-22(30)19-11-14-12-26-8-6-18(14)31-19/h4-5,9-11,20,26-27H,1-3,6-8,12,25H2,(H,28,30).

What are the key properties of N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide?

N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide has a molecular weight of 457.00 g/mol, XLogP of 3.78, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(5-chloro-1H-indole-2-carbonyl)cyclohexyl]-4,5,6,7-tetrahydrothieno[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 66786586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).