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

C26H30ClFN6O3S — CID 66786946

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

N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (PubChem CID 66786946) has the molecular formula C26H30ClFN6O3S and a molecular weight of 561.08 g/mol. Its IUPAC name is N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
• PubChem CID: 66786946
• Molecular Formula: C26H30ClFN6O3S
• Molecular Weight: 561.08 g/mol
• Exact Mass: 560.18
• IUPAC Name: N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-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)CCC3(N)C(=O)c3cc4c(F)c(Cl)ccc4[nH]3)sc2C1
• InChI: InChI=1S/C26H30ClFN6O3S/c1-33(2)25(37)13-6-8-26(29,22(35)18-11-14-16(30-18)5-4-15(27)21(14)28)20(10-13)32-23(36)24-31-17-7-9-34(3)12-19(17)38-24/h4-5,11,13,20,30H,6-10,12,29H2,1-3H3,(H,32,36)
• InChIKey: YTLXXAYMNUZUJW-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 124.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	561.08
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide (CID 66786946) is N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-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-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-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)CCC3(N)C(=O)c3cc4c(F)c(Cl)ccc4[nH]3)sc2C1.

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

The InChIKey is YTLXXAYMNUZUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClFN6O3S/c1-33(2)25(37)13-6-8-26(29,22(35)18-11-14-16(30-18)5-4-15(27)21(14)28)20(10-13)32-23(36)24-31-17-7-9-34(3)12-19(17)38-24/h4-5,11,13,20,30H,6-10,12,29H2,1-3H3,(H,32,36).

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

N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide has a molecular weight of 561.08 g/mol, XLogP of 2.97, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-2-(5-chloro-4-fluoro-1H-indole-2-carbonyl)-5-(dimethylcarbamoyl)cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 66786946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).