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

C23H24Cl2N6O2 — CID 164743880

About 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)-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-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 164743880) has the molecular formula C23H24Cl2N6O2 and a molecular weight of 487.39 g/mol. Its IUPAC name is 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)-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-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
• PubChem CID: 164743880
• Molecular Formula: C23H24Cl2N6O2
• Molecular Weight: 487.39 g/mol
• Exact Mass: 486.13
• IUPAC Name: 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile
• SMILES: CC1OCC2(CCN(c3cc(C#N)c(-c4ccnc(Cl)c4Cl)c4ncc(CO)n34)CC2)C1N
• InChI: InChI=1S/C23H24Cl2N6O2/c1-13-20(27)23(12-33-13)3-6-30(7-4-23)17-8-14(9-26)18(16-2-5-28-21(25)19(16)24)22-29-10-15(11-32)31(17)22/h2,5,8,10,13,20,32H,3-4,6-7,11-12,27H2,1H3
• InChIKey: HKPPVBUECQHAIA-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 112.70 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.39
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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-dichloro-4-pyridinyl)-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-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile (CID 164743880) is 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)-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-dichloro-4-pyridinyl)-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-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile is CC1OCC2(CCN(c3cc(C#N)c(-c4ccnc(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-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile?

The InChIKey is HKPPVBUECQHAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N6O2/c1-13-20(27)23(12-33-13)3-6-30(7-4-23)17-8-14(9-26)18(16-2-5-28-21(25)19(16)24)22-29-10-15(11-32)31(17)22/h2,5,8,10,13,20,32H,3-4,6-7,11-12,27H2,1H3.

What are the key properties of 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)-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-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 487.39 g/mol, XLogP of 3.40, 3 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-dichloro-4-pyridinyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 164743880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).