2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

C31H34Cl2N8O2S — CID 158720980

About 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane

2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (PubChem CID 158720980) has the molecular formula C31H34Cl2N8O2S and a molecular weight of 653.64 g/mol. Its IUPAC name is 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

• Compound Name: 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
• PubChem CID: 158720980
• Molecular Formula: C31H34Cl2N8O2S
• Molecular Weight: 653.64 g/mol
• Exact Mass: 652.19
• IUPAC Name: 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane
• SMILES: CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Clc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1
• InChI: InChI=1S/C16H21ClN4O2S.C15H13ClN4/c1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14;16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20/h8-10H,2-7,11H2,1H3,(H,18,19);1,3,5-8H,2,4,9H2,(H,18,19)
• InChIKey: IJXGZOJSXHDDEG-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 114.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	653.64
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?

The IUPAC name of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane (CID 158720980) is 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane.

What is the SMILES notation for 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?

The canonical SMILES for 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is CS(=O)(=O)N1CCC2(CCN(c3cc(Cl)cc4[nH]ncc34)CC2)C1.Clc1cc(N2CCc3ccncc3C2)c2cn[nH]c2c1.

What is the InChIKey of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?

The InChIKey is IJXGZOJSXHDDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN4O2S.C15H13ClN4/c1-24(22,23)21-7-4-16(11-21)2-5-20(6-3-16)15-9-12(17)8-14-13(15)10-18-19-14;16-12-5-14-13(8-18-19-14)15(6-12)20-4-2-10-1-3-17-7-11(10)9-20/h8-10H,2-7,11H2,1H3,(H,18,19);1,3,5-8H,2,4,9H2,(H,18,19).

What are the key properties of 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane?

2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane has a molecular weight of 653.64 g/mol, XLogP of 5.64, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1H-indazol-4-yl)-3,4-dihydro-1H-2,7-naphthyridine;8-(6-chloro-1H-indazol-4-yl)-2-methylsulfonyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 158720980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).