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

C30H35N7O — CID 89458778

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

5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (PubChem CID 89458778) has the molecular formula C30H35N7O and a molecular weight of 509.66 g/mol. Its IUPAC name is 5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
• PubChem CID: 89458778
• Molecular Formula: C30H35N7O
• Molecular Weight: 509.66 g/mol
• Exact Mass: 509.29
• IUPAC Name: 5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide
• SMILES: CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cccc(CN6CCCC6)c5)c4c3)c2)CC1
• InChI: InChI=1S/C30H35N7O/c1-35-11-13-37(14-12-35)21-23-15-25(19-31-18-23)24-7-8-28-27(17-24)29(34-33-28)30(38)32-26-6-4-5-22(16-26)20-36-9-2-3-10-36/h4-8,15-19H,2-3,9-14,20-21H2,1H3,(H,32,38)(H,33,34)
• InChIKey: XTXXWHKFDXVOKG-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 80.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.66
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide (CID 89458778) is 5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is CN1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5cccc(CN6CCCC6)c5)c4c3)c2)CC1.

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

The InChIKey is XTXXWHKFDXVOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O/c1-35-11-13-37(14-12-35)21-23-15-25(19-31-18-23)24-7-8-28-27(17-24)29(34-33-28)30(38)32-26-6-4-5-22(16-26)20-36-9-2-3-10-36/h4-8,15-19H,2-3,9-14,20-21H2,1H3,(H,32,38)(H,33,34).

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

5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide has a molecular weight of 509.66 g/mol, XLogP of 4.22, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-N-[3-(pyrrolidin-1-ylmethyl)phenyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89458778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).