methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride

C21H24ClN5O6S — CID 135508512

About methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride

methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride (PubChem CID 135508512) has the molecular formula C21H24ClN5O6S and a molecular weight of 509.97 g/mol. Its IUPAC name is methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride.

Molecular Properties

• Compound Name: methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride
• PubChem CID: 135508512
• Molecular Formula: C21H24ClN5O6S
• Molecular Weight: 509.97 g/mol
• Exact Mass: 509.11
• IUPAC Name: methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride
• SMILES: COC(=O)NC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1.Cl
• InChI: InChI=1S/C21H23N5O6S.ClH/c1-25-7-9-26(10-8-25)33(30,31)14-4-6-17(22-12-14)18-15-11-13(19(27)24-21(29)32-2)3-5-16(15)23-20(18)28;/h3-6,11-12,23,28H,7-10H2,1-2H3,(H,24,27,29);1H
• InChIKey: XOSXCYGANHEUSW-UHFFFAOYSA-N
• XLogP: 1.79
• TPSA: 144.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.97
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride?

The IUPAC name of methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride (CID 135508512) is methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride.

What is the SMILES notation for methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride?

The canonical SMILES for methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride is COC(=O)NC(=O)c1ccc2[nH]c(O)c(-c3ccc(S(=O)(=O)N4CCN(C)CC4)cn3)c2c1.Cl.

What is the InChIKey of methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride?

The InChIKey is XOSXCYGANHEUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O6S.ClH/c1-25-7-9-26(10-8-25)33(30,31)14-4-6-17(22-12-14)18-15-11-13(19(27)24-21(29)32-2)3-5-16(15)23-20(18)28;/h3-6,11-12,23,28H,7-10H2,1-2H3,(H,24,27,29);1H.

What are the key properties of methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride?

methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride has a molecular weight of 509.97 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl N-[2-hydroxy-3-[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]-1H-indole-5-carbonyl]carbamate;hydrochloride is sourced from PubChem (CID 135508512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).