3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide

C25H18ClN5O3S — CID 10029090

About 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide

3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide (PubChem CID 10029090) has the molecular formula C25H18ClN5O3S and a molecular weight of 503.97 g/mol. Its IUPAC name is 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide.

Molecular Properties

• Compound Name: 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide
• PubChem CID: 10029090
• Molecular Formula: C25H18ClN5O3S
• Molecular Weight: 503.97 g/mol
• Exact Mass: 503.08
• IUPAC Name: 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide
• SMILES: O=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1cscn1)c1ccc2c(Cl)c[nH]c2c1
• InChI: InChI=1S/C25H18ClN5O3S/c26-19-12-27-20-11-15(4-9-18(19)20)24(33)30-23(21-13-35-14-28-21)25(34)29-16-5-7-17(8-6-16)31-10-2-1-3-22(31)32/h1-14,23,27H,(H,29,34)(H,30,33)
• InChIKey: IQUKUNGGOSJOJQ-UHFFFAOYSA-N
• XLogP: 4.54
• TPSA: 108.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	503.97
LogP ≤ 5	4.54
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide?

The IUPAC name of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide (CID 10029090) is 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide.

What is the SMILES notation for 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide?

The canonical SMILES for 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide is O=C(NC(C(=O)Nc1ccc(-n2ccccc2=O)cc1)c1cscn1)c1ccc2c(Cl)c[nH]c2c1.

What is the InChIKey of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide?

The InChIKey is IQUKUNGGOSJOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18ClN5O3S/c26-19-12-27-20-11-15(4-9-18(19)20)24(33)30-23(21-13-35-14-28-21)25(34)29-16-5-7-17(8-6-16)31-10-2-1-3-22(31)32/h1-14,23,27H,(H,29,34)(H,30,33).

What are the key properties of 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide?

3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide has a molecular weight of 503.97 g/mol, XLogP of 4.54, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-N-[2-oxo-2-[4-(2-oxo-1-pyridinyl)anilino]-1-(1,3-thiazol-4-yl)ethyl]-1H-indole-6-carboxamide is sourced from PubChem (CID 10029090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).