6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile

C22H22N6O — CID 177038494

IUPAC6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1cc(-c2cc(C#N)c3nc(C)cn3c2)cc2cn(C3CCNCC3)nc12
InChIInChI=1S/C22H22N6O/c1-14-11-27-12-17(8-16(10-23)22(27)25-14)15-7-18-13-28(19-3-5-24-6-4-19)26-21(18)20(9-15)29-2/h7-9,11-13,19,24H,3-6H2,1-2H3
InChIKeyYTSCDSHESSZFKT-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.46
Rot. Bonds3

About 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile

6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 177038494) has the molecular formula C22H22N6O and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID177038494
Molecular FormulaC22H22N6O
Molecular Weight386.46 g/mol
Exact Mass386.19
IUPAC Name6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESCOc1cc(-c2cc(C#N)c3nc(C)cn3c2)cc2cn(C3CCNCC3)nc12
InChIInChI=1S/C22H22N6O/c1-14-11-27-12-17(8-16(10-23)22(27)25-14)15-7-18-13-28(19-3-5-24-6-4-19)26-21(18)20(9-15)29-2/h7-9,11-13,19,24H,3-6H2,1-2H3
InChIKeyYTSCDSHESSZFKT-UHFFFAOYSA-N
XLogP3.46
TPSA80.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
CID 168902318
6-(5-fluoro-3-piperidin-4-ylcinnolin-7-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile;tetrahydrochloride
CID 172750757
5-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-piperidin-4-ylthieno[2,3-c]pyrazole
CID 162432938
2-methyl-6-[2-[methyl(piperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]imidazo[1,2-a]pyridine-8-carbonitrile;hydrochloride
CID 153383364
5-(8-fluoro-2-piperidin-4-ylimidazo[1,2-a]pyridin-6-yl)-2-methylindazole-7-carbonitrile
CID 170593538
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 168902369
5-bromo-6-methoxy-2-piperidin-4-ylindazole
CID 170334625
4-[1-(azepan-4-yl)-3-(3-fluoro-4-methoxyphenyl)pyrazol-4-yl]-2-fluorobenzonitrile
CID 163791356
N-[4-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 176905950
2-(7-methoxy-2-methylindazol-5-yl)-6-methylimidazo[2,1-b][1,3]thiazole
CID 178050629
4-[2-(8-methoxy-2-methylimidazo[1,2-a]pyridin-6-yl)imidazo[2,1-b][1,3]thiazol-6-yl]borinane-1-carbonitrile
CID 178050818
1-cyclopropyl-4-methoxy-3-methylpyrazole
CID 170591721

Frequently Asked Questions

What is the IUPAC name of 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile (CID 177038494) is 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile is COc1cc(-c2cc(C#N)c3nc(C)cn3c2)cc2cn(C3CCNCC3)nc12.
What is the InChIKey of 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is YTSCDSHESSZFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O/c1-14-11-27-12-17(8-16(10-23)22(27)25-14)15-7-18-13-28(19-3-5-24-6-4-19)26-21(18)20(9-15)29-2/h7-9,11-13,19,24H,3-6H2,1-2H3.
What are the key properties of 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile?
6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 386.46 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-methoxy-2-piperidin-4-ylindazol-5-yl)-2-methylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 177038494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).