N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide

C27H31ClN6O4S — CID 23135473

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

N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 23135473) has the molecular formula C27H31ClN6O4S and a molecular weight of 571.10 g/mol. Its IUPAC name is N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 23135473
• Molecular Formula: C27H31ClN6O4S
• Molecular Weight: 571.10 g/mol
• Exact Mass: 570.18
• IUPAC Name: N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• SMILES: CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3NC(=O)c3[nH]c4ccc(Cl)cc4c3C=O)sc2C1
• InChI: InChI=1S/C27H31ClN6O4S/c1-33(2)27(38)14-4-6-19(30-24(36)23-17(13-35)16-11-15(28)5-7-18(16)29-23)21(10-14)31-25(37)26-32-20-8-9-34(3)12-22(20)39-26/h5,7,11,13-14,19,21,29H,4,6,8-10,12H2,1-3H3,(H,30,36)(H,31,37)
• InChIKey: CFKFDPIYKGDUPV-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 127.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	571.10
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 23135473) is N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

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

The canonical SMILES for N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is CN1CCc2nc(C(=O)NC3CC(C(=O)N(C)C)CCC3NC(=O)c3[nH]c4ccc(Cl)cc4c3C=O)sc2C1.

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

The InChIKey is CFKFDPIYKGDUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31ClN6O4S/c1-33(2)27(38)14-4-6-19(30-24(36)23-17(13-35)16-11-15(28)5-7-18(16)29-23)21(10-14)31-25(37)26-32-20-8-9-34(3)12-22(20)39-26/h5,7,11,13-14,19,21,29H,4,6,8-10,12H2,1-3H3,(H,30,36)(H,31,37).

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

N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 571.10 g/mol, XLogP of 2.86, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-chloro-3-formyl-1H-indole-2-carbonyl)amino]-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 23135473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).