N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

C30H35N7O2 — CID 118382212

About N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382212) has the molecular formula C30H35N7O2 and a molecular weight of 525.66 g/mol. Its IUPAC name is N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382212
• Molecular Formula: C30H35N7O2
• Molecular Weight: 525.66 g/mol
• Exact Mass: 525.29
• IUPAC Name: N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCC(O)CC6)nc5)c4c3)c2)CC1
• InChI: InChI=1S/C30H35N7O2/c1-20-6-10-36(11-7-20)19-21-14-23(17-31-16-21)22-2-4-27-26(15-22)29(35-34-27)30(39)33-24-3-5-28(32-18-24)37-12-8-25(38)9-13-37/h2-5,14-18,20,25,38H,6-13,19H2,1H3,(H,33,39)(H,34,35)
• InChIKey: RRYTYPFMPSVZAU-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 110.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.66
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118382212) is N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is CC1CCN(Cc2cncc(-c3ccc4[nH]nc(C(=O)Nc5ccc(N6CCC(O)CC6)nc5)c4c3)c2)CC1.

What is the InChIKey of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is RRYTYPFMPSVZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2/c1-20-6-10-36(11-7-20)19-21-14-23(17-31-16-21)22-2-4-27-26(15-22)29(35-34-27)30(39)33-24-3-5-28(32-18-24)37-12-8-25(38)9-13-37/h2-5,14-18,20,25,38H,6-13,19H2,1H3,(H,33,39)(H,34,35).

What are the key properties of N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 525.66 g/mol, XLogP of 4.47, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]-5-[5-[(4-methylpiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).