N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

C26H26N6O3S — CID 73054031

About N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide

N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 73054031) has the molecular formula C26H26N6O3S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
• PubChem CID: 73054031
• Molecular Formula: C26H26N6O3S
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.18
• IUPAC Name: N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide
• SMILES: CC(C)C(=O)N(C)c1ccc2c(C(=O)NC3CC3)c(NC(=O)c3csc(-c4ccncc4)n3)[nH]c2c1
• InChI: InChI=1S/C26H26N6O3S/c1-14(2)26(35)32(3)17-6-7-18-19(12-17)29-22(21(18)24(34)28-16-4-5-16)31-23(33)20-13-36-25(30-20)15-8-10-27-11-9-15/h6-14,16,29H,4-5H2,1-3H3,(H,28,34)(H,31,33)
• InChIKey: SDHISBYUGXWPAC-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 120.08 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?

The IUPAC name of N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide (CID 73054031) is N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide.

What is the SMILES notation for N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?

The canonical SMILES for N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is CC(C)C(=O)N(C)c1ccc2c(C(=O)NC3CC3)c(NC(=O)c3csc(-c4ccncc4)n3)[nH]c2c1.

What is the InChIKey of N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?

The InChIKey is SDHISBYUGXWPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O3S/c1-14(2)26(35)32(3)17-6-7-18-19(12-17)29-22(21(18)24(34)28-16-4-5-16)31-23(33)20-13-36-25(30-20)15-8-10-27-11-9-15/h6-14,16,29H,4-5H2,1-3H3,(H,28,34)(H,31,33).

What are the key properties of N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide?

N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 502.60 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(cyclopropylcarbamoyl)-6-[methyl(2-methylpropanoyl)amino]-1H-indol-2-yl]-2-pyridin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 73054031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).