N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

C24H23FN6O2 — CID 123718021

About N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide

N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (PubChem CID 123718021) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

Molecular Properties

• Compound Name: N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• PubChem CID: 123718021
• Molecular Formula: C24H23FN6O2
• Molecular Weight: 446.49 g/mol
• Exact Mass: 446.19
• IUPAC Name: N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide
• SMILES: O=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCCOCC4)c3)cc12
• InChI: InChI=1S/C24H23FN6O2/c25-20-4-5-26-14-22(20)28-24(32)23-19-11-17(2-3-21(19)29-30-23)18-10-16(12-27-13-18)15-31-6-1-8-33-9-7-31/h2-5,10-14H,1,6-9,15H2,(H,28,32)(H,29,30)
• InChIKey: BUUBMPATKRSBTN-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.49
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The IUPAC name of N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide (CID 123718021) is N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide.

What is the SMILES notation for N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The canonical SMILES for N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is O=C(Nc1cnccc1F)c1n[nH]c2ccc(-c3cncc(CN4CCCOCC4)c3)cc12.

What is the InChIKey of N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

The InChIKey is BUUBMPATKRSBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN6O2/c25-20-4-5-26-14-22(20)28-24(32)23-19-11-17(2-3-21(19)29-30-23)18-10-16(12-27-13-18)15-31-6-1-8-33-9-7-31/h2-5,10-14H,1,6-9,15H2,(H,28,32)(H,29,30).

What are the key properties of N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide?

N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide has a molecular weight of 446.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluoro-3-pyridinyl)-5-[5-(1,4-oxazepan-4-ylmethyl)-3-pyridinyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 123718021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).