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

C22H22Cl2N6O — CID 164743688

IUPAC5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCC1OCC2(CCN(c3cc(C#N)c(-c4ccnc(Cl)c4Cl)c4nccn34)CC2)C1N
InChIInChI=1S/C22H22Cl2N6O/c1-13-19(26)22(12-31-13)3-7-29(8-4-22)16-10-14(11-25)17(21-28-6-9-30(16)21)15-2-5-27-20(24)18(15)23/h2,5-6,9-10,13,19H,3-4,7-8,12,26H2,1H3
InChIKeyGQRWTECSTNQZNS-UHFFFAOYSA-N
MW457.37 g/mol
LogP3.91
Rot. Bonds2

About 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)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)imidazo[1,2-a]pyridine-7-carbonitrile (PubChem CID 164743688) has the molecular formula C22H22Cl2N6O and a molecular weight of 457.37 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)imidazo[1,2-a]pyridine-7-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)imidazo[1,2-a]pyridine-7-carbonitrile
PubChem CID164743688
Molecular FormulaC22H22Cl2N6O
Molecular Weight457.37 g/mol
Exact Mass456.12
IUPAC Name5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)imidazo[1,2-a]pyridine-7-carbonitrile
SMILESCC1OCC2(CCN(c3cc(C#N)c(-c4ccnc(Cl)c4Cl)c4nccn34)CC2)C1N
InChIInChI=1S/C22H22Cl2N6O/c1-13-19(26)22(12-31-13)3-7-29(8-4-22)16-10-14(11-25)17(21-28-6-9-30(16)21)15-2-5-27-20(24)18(15)23/h2,5-6,9-10,13,19H,3-4,7-8,12,26H2,1H3
InChIKeyGQRWTECSTNQZNS-UHFFFAOYSA-N
XLogP3.91
TPSA92.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.37
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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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)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)imidazo[1,2-a]pyridine-7-carbonitrile (CID 164743688) is 5-(4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl)-8-(2,3-dichloro-4-pyridinyl)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)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)imidazo[1,2-a]pyridine-7-carbonitrile is CC1OCC2(CCN(c3cc(C#N)c(-c4ccnc(Cl)c4Cl)c4nccn34)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)imidazo[1,2-a]pyridine-7-carbonitrile?
The InChIKey is GQRWTECSTNQZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N6O/c1-13-19(26)22(12-31-13)3-7-29(8-4-22)16-10-14(11-25)17(21-28-6-9-30(16)21)15-2-5-27-20(24)18(15)23/h2,5-6,9-10,13,19H,3-4,7-8,12,26H2,1H3.
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)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)imidazo[1,2-a]pyridine-7-carbonitrile has a molecular weight of 457.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 7 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)imidazo[1,2-a]pyridine-7-carbonitrile is sourced from PubChem (CID 164743688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).