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

C25H25N7O — CID 118382339

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

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 118382339) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 118382339
• Molecular Formula: C25H25N7O
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.21
• IUPAC Name: 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccnc(N2CCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12
• InChI: InChI=1S/C25H25N7O/c33-25(28-20-5-6-27-23(13-20)32-9-2-10-32)24-21-12-18(3-4-22(21)29-30-24)19-11-17(14-26-15-19)16-31-7-1-8-31/h3-6,11-15H,1-2,7-10,16H2,(H,29,30)(H,27,28,33)
• InChIKey: CYTAHJCDXZFYBQ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide (CID 118382339) is 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide.

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

The canonical SMILES for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccnc(N2CCC2)c1)c1n[nH]c2ccc(-c3cncc(CN4CCC4)c3)cc12.

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

The InChIKey is CYTAHJCDXZFYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O/c33-25(28-20-5-6-27-23(13-20)32-9-2-10-32)24-21-12-18(3-4-22(21)29-30-24)19-11-17(14-26-15-19)16-31-7-1-8-31/h3-6,11-15H,1-2,7-10,16H2,(H,29,30)(H,27,28,33).

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

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 439.52 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-[2-(azetidin-1-yl)-4-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 118382339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).