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

C30H36N8O — CID 118382350

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

N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382350) has the molecular formula C30H36N8O and a molecular weight of 524.67 g/mol. Its IUPAC name is N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382350
• Molecular Formula: C30H36N8O
• Molecular Weight: 524.67 g/mol
• Exact Mass: 524.30
• IUPAC Name: N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CN1CCN(Cc2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)ccn2)CC1
• InChI: InChI=1S/C30H36N8O/c1-36-11-13-38(14-12-36)21-26-17-25(7-8-32-26)33-30(39)29-27-16-23(5-6-28(27)34-35-29)24-15-22(18-31-19-24)20-37-9-3-2-4-10-37/h5-8,15-19H,2-4,9-14,20-21H2,1H3,(H,34,35)(H,32,33,39)
• InChIKey: SUKFRIGJFWJPPZ-UHFFFAOYSA-N
• XLogP: 4.01
• TPSA: 93.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	524.67
LogP ≤ 5	4.01
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)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382350) is N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN1CCN(Cc2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCCCC6)c5)cc34)ccn2)CC1.

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

The InChIKey is SUKFRIGJFWJPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N8O/c1-36-11-13-38(14-12-36)21-26-17-25(7-8-32-26)33-30(39)29-27-16-23(5-6-28(27)34-35-29)24-15-22(18-31-19-24)20-37-9-3-2-4-10-37/h5-8,15-19H,2-4,9-14,20-21H2,1H3,(H,34,35)(H,32,33,39).

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

N-[2-[(4-methylpiperazin-1-yl)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 524.67 g/mol, XLogP of 4.01, 7 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)methyl]-4-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).