N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C30H36N8O — CID 118381916

About N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381916) has the molecular formula C30H36N8O and a molecular weight of 524.67 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118381916
• Molecular Formula: C30H36N8O
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.30
• IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccnc(N6CCN(C)CC6)c5)c4c3)c2)CC1
• InChI: InChI=1S/C30H36N8O/c1-21-6-9-37(10-7-21)20-22-15-24(19-31-18-22)23-3-4-27-26(16-23)29(35-34-27)30(39)33-25-5-8-32-28(17-25)38-13-11-36(2)12-14-38/h3-5,8,15-19,21H,6-7,9-14,20H2,1-2H3,(H,34,35)(H,32,33,39)
• InChIKey: HLUBSOQKGHSRAU-UHFFFAOYSA-N
• XLogP: 4.26
• TPSA: 93.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381916) is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccnc(N6CCN(C)CC6)c5)c4c3)c2)CC1.

What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is HLUBSOQKGHSRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O/c1-21-6-9-37(10-7-21)20-22-15-24(19-31-18-22)23-3-4-27-26(16-23)29(35-34-27)30(39)33-25-5-8-32-28(17-25)38-13-11-36(2)12-14-38/h3-5,8,15-19,21H,6-7,9-14,20H2,1-2H3,(H,34,35)(H,32,33,39).

What are the key properties of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).