5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile

C24H25Cl2N5O2S — CID 164743572

About 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile

5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 164743572) has the molecular formula C24H25Cl2N5O2S and a molecular weight of 518.47 g/mol. Its IUPAC name is 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

• Compound Name: 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
• PubChem CID: 164743572
• Molecular Formula: C24H25Cl2N5O2S
• Molecular Weight: 518.47 g/mol
• Exact Mass: 517.11
• IUPAC Name: 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
• SMILES: CC1OCC2(CCN(c3cc(C#N)c(Sc4cccc(Cl)c4Cl)c4ncc(CO)n34)CC2)C1N
• InChI: InChI=1S/C24H25Cl2N5O2S/c1-14-22(28)24(13-33-14)5-7-30(8-6-24)19-9-15(10-27)21(23-29-11-16(12-32)31(19)23)34-18-4-2-3-17(25)20(18)26/h2-4,9,11,14,22,32H,5-8,12-13,28H2,1H3
• InChIKey: KHQZNLONLGJSPR-UHFFFAOYSA-N
• XLogP: 4.49
• TPSA: 99.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.47
LogP ≤ 5	4.49
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?

The IUPAC name of 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile (CID 164743572) is 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile.

What is the SMILES notation for 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?

The canonical SMILES for 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile is CC1OCC2(CCN(c3cc(C#N)c(Sc4cccc(Cl)c4Cl)c4ncc(CO)n34)CC2)C1N.

What is the InChIKey of 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?

The InChIKey is KHQZNLONLGJSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N5O2S/c1-14-22(28)24(13-33-14)5-7-30(8-6-24)19-9-15(10-27)21(23-29-11-16(12-32)31(19)23)34-18-4-2-3-17(25)20(18)26/h2-4,9,11,14,22,32H,5-8,12-13,28H2,1H3.

What are the key properties of 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?

5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 518.47 g/mol, XLogP of 4.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichlorophenyl)sulfanyl-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 164743572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).