2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

C34H24Cl2N8O3S2 — CID 158319822

About 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine

2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (PubChem CID 158319822) has the molecular formula C34H24Cl2N8O3S2 and a molecular weight of 727.66 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.

Molecular Properties

• Compound Name: 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
• PubChem CID: 158319822
• Molecular Formula: C34H24Cl2N8O3S2
• Molecular Weight: 727.66 g/mol
• Exact Mass: 726.08
• IUPAC Name: 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine
• SMILES: Nc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(Cl)nc1)C2.O=C(O)c1cccc2c1N=C(c1ccc(Cl)nc1)C2
• InChI: InChI=1S/C17H11ClN4OS.C14H9ClN2O2.C3H4N2S/c18-14-5-4-11(9-20-14)13-8-10-2-1-3-12(15(10)21-13)16(23)22-17-19-6-7-24-17;15-12-5-4-9(7-16-12)11-6-8-2-1-3-10(14(18)19)13(8)17-11;4-3-5-1-2-6-3/h1-7,9H,8H2,(H,19,22,23);1-5,7H,6H2,(H,18,19);1-2H,(H2,4,5)
• InChIKey: GOSBTZIYSUYRMZ-UHFFFAOYSA-N
• XLogP: 7.96
• TPSA: 168.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	727.66
LogP ≤ 5	7.96
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?

The IUPAC name of 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine (CID 158319822) is 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine.

What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?

The canonical SMILES for 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is Nc1nccs1.O=C(Nc1nccs1)c1cccc2c1N=C(c1ccc(Cl)nc1)C2.O=C(O)c1cccc2c1N=C(c1ccc(Cl)nc1)C2.

What is the InChIKey of 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?

The InChIKey is GOSBTZIYSUYRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4OS.C14H9ClN2O2.C3H4N2S/c18-14-5-4-11(9-20-14)13-8-10-2-1-3-12(15(10)21-13)16(23)22-17-19-6-7-24-17;15-12-5-4-9(7-16-12)11-6-8-2-1-3-10(14(18)19)13(8)17-11;4-3-5-1-2-6-3/h1-7,9H,8H2,(H,19,22,23);1-5,7H,6H2,(H,18,19);1-2H,(H2,4,5).

What are the key properties of 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine?

2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine has a molecular weight of 727.66 g/mol, XLogP of 7.96, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-3-pyridinyl)-3H-indole-7-carboxylic acid;2-(6-chloro-3-pyridinyl)-N-(1,3-thiazol-2-yl)-3H-indole-7-carboxamide;1,3-thiazol-2-amine is sourced from PubChem (CID 158319822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).