7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one

C21H21N5O2 — CID 170858728

About 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one

7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 170858728) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

• Compound Name: 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
• PubChem CID: 170858728
• Molecular Formula: C21H21N5O2
• Molecular Weight: 375.43 g/mol
• Exact Mass: 375.17
• IUPAC Name: 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one
• SMILES: CN1C(=O)C2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1c1ccccn1
• InChI: InChI=1S/C21H21N5O2/c1-25-18(16-8-4-5-11-22-16)21(20(25)28)9-12-26(13-10-21)19(27)17-14-6-2-3-7-15(14)23-24-17/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,24)
• InChIKey: JFMHDDVRLQHJKV-UHFFFAOYSA-N
• XLogP: 2.39
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.43
LogP ≤ 5	2.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?

The IUPAC name of 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one (CID 170858728) is 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one.

What is the SMILES notation for 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?

The canonical SMILES for 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one is CN1C(=O)C2(CCN(C(=O)c3n[nH]c4ccccc34)CC2)C1c1ccccn1.

What is the InChIKey of 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?

The InChIKey is JFMHDDVRLQHJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25-18(16-8-4-5-11-22-16)21(20(25)28)9-12-26(13-10-21)19(27)17-14-6-2-3-7-15(14)23-24-17/h2-8,11,18H,9-10,12-13H2,1H3,(H,23,24).

What are the key properties of 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one?

7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 375.43 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(1H-indazole-3-carbonyl)-2-methyl-1-pyridin-2-yl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 170858728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).