N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C26H25N5O4 — CID 89451050

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 89451050) has the molecular formula C26H25N5O4 and a molecular weight of 471.52 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 89451050
• Molecular Formula: C26H25N5O4
• Molecular Weight: 471.52 g/mol
• Exact Mass: 471.19
• IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12
• InChI: InChI=1S/C26H25N5O4/c32-26(28-20-2-4-23-24(13-20)35-10-9-34-23)25-21-12-18(1-3-22(21)29-30-25)19-11-17(14-27-15-19)16-31-5-7-33-8-6-31/h1-4,11-15H,5-10,16H2,(H,28,32)(H,29,30)
• InChIKey: PFBRCCDLHWYIMW-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 101.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	471.52
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 89451050) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]c2ccc(-c3cncc(CN4CCOCC4)c3)cc12.

What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is PFBRCCDLHWYIMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O4/c32-26(28-20-2-4-23-24(13-20)35-10-9-34-23)25-21-12-18(1-3-22(21)29-30-25)19-11-17(14-27-15-19)16-31-5-7-33-8-6-31/h1-4,11-15H,5-10,16H2,(H,28,32)(H,29,30).

What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 471.52 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 89451050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).