N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane

C25H25N7O — CID 144555192

About N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane

N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane (PubChem CID 144555192) has the molecular formula C25H25N7O and a molecular weight of 439.52 g/mol. Its IUPAC name is N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane.

Molecular Properties

• Compound Name: N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
• PubChem CID: 144555192
• Molecular Formula: C25H25N7O
• Molecular Weight: 439.52 g/mol
• Exact Mass: 439.21
• IUPAC Name: N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane
• SMILES: CC.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1
• InChI: InChI=1S/C23H19N7O.C2H6/c24-11-17-4-5-18(13-26-17)27-23(31)22-20-10-15(3-6-21(20)28-29-22)16-9-19(14-25-12-16)30-7-1-2-8-30;1-2/h3-6,9-10,12-14H,1-2,7-8H2,(H,27,31)(H,28,29);1-2H3
• InChIKey: MISAJEOVYBDYSE-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 110.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.52
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane?

The IUPAC name of N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane (CID 144555192) is N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane.

What is the SMILES notation for N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane?

The canonical SMILES for N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane is CC.N#Cc1ccc(NC(=O)c2n[nH]c3ccc(-c4cncc(N5CCCC5)c4)cc23)cn1.

What is the InChIKey of N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane?

The InChIKey is MISAJEOVYBDYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N7O.C2H6/c24-11-17-4-5-18(13-26-17)27-23(31)22-20-10-15(3-6-21(20)28-29-22)16-9-19(14-25-12-16)30-7-1-2-8-30;1-2/h3-6,9-10,12-14H,1-2,7-8H2,(H,27,31)(H,28,29);1-2H3.

What are the key properties of N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane?

N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane has a molecular weight of 439.52 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-cyano-3-pyridinyl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;ethane is sourced from PubChem (CID 144555192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).