N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C28H31N7O — CID 89450868

About N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89450868) has the molecular formula C28H31N7O and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89450868
• Molecular Formula: C28H31N7O
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.26
• IUPAC Name: N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCC1
• InChI: InChI=1S/C28H31N7O/c1-19-12-23(17-30-27(19)35-10-5-11-35)31-28(36)26-24-14-21(6-7-25(24)32-33-26)22-13-20(15-29-16-22)18-34-8-3-2-4-9-34/h6-7,12-17H,2-5,8-11,18H2,1H3,(H,31,36)(H,32,33)
• InChIKey: SLISCKXIBFZUNA-UHFFFAOYSA-N
• XLogP: 4.78
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	4.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89450868) is N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is Cc1cc(NC(=O)c2n[nH]c3ccc(-c4cncc(CN5CCCCC5)c4)cc23)cnc1N1CCC1.

What is the InChIKey of N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is SLISCKXIBFZUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N7O/c1-19-12-23(17-30-27(19)35-10-5-11-35)31-28(36)26-24-14-21(6-7-25(24)32-33-26)22-13-20(15-29-16-22)18-34-8-3-2-4-9-34/h6-7,12-17H,2-5,8-11,18H2,1H3,(H,31,36)(H,32,33).

What are the key properties of N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 4.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(azetidin-1-yl)-5-methyl-3-pyridinyl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89450868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).