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

C28H32N8O2 — CID 118381872

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

N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118381872) has the molecular formula C28H32N8O2 and a molecular weight of 512.62 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118381872
• Molecular Formula: C28H32N8O2
• Molecular Weight: 512.62 g/mol
• Exact Mass: 512.26
• IUPAC Name: N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: CN1CCN(c2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)ccn2)CC1
• InChI: InChI=1S/C28H32N8O2/c1-34-6-8-36(9-7-34)26-16-23(4-5-30-26)31-28(37)27-24-15-21(2-3-25(24)32-33-27)22-14-20(17-29-18-22)19-35-10-12-38-13-11-35/h2-5,14-18H,6-13,19H2,1H3,(H,32,33)(H,30,31,37)
• InChIKey: KHVXGPNKOFSBIX-UHFFFAOYSA-N
• XLogP: 2.86
• TPSA: 102.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.62
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 118381872) is N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is CN1CCN(c2cc(NC(=O)c3n[nH]c4ccc(-c5cncc(CN6CCOCC6)c5)cc34)ccn2)CC1.

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

The InChIKey is KHVXGPNKOFSBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N8O2/c1-34-6-8-36(9-7-34)26-16-23(4-5-30-26)31-28(37)27-24-15-21(2-3-25(24)32-33-27)22-14-20(17-29-18-22)19-35-10-12-38-13-11-35/h2-5,14-18H,6-13,19H2,1H3,(H,32,33)(H,30,31,37).

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

N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 512.62 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118381872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).