1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride

C23H23ClN4O — CID 69229090

IUPAC1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride
SMILESCc1nc2c(NC3CCc4ccccc43)cc(-n3ccccc3=O)cn2c1C.Cl
InChIInChI=1S/C23H22N4O.ClH/c1-15-16(2)27-14-18(26-12-6-5-9-22(26)28)13-21(23(27)24-15)25-20-11-10-17-7-3-4-8-19(17)20;/h3-9,12-14,20,25H,10-11H2,1-2H3;1H
InChIKeyYVUBFRNYUBDAHV-UHFFFAOYSA-N
MW406.92 g/mol
LogP4.62
Rot. Bonds3

About 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride

1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride (PubChem CID 69229090) has the molecular formula C23H23ClN4O and a molecular weight of 406.92 g/mol. Its IUPAC name is 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride
PubChem CID69229090
Molecular FormulaC23H23ClN4O
Molecular Weight406.92 g/mol
Exact Mass406.16
IUPAC Name1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride
SMILESCc1nc2c(NC3CCc4ccccc43)cc(-n3ccccc3=O)cn2c1C.Cl
InChIInChI=1S/C23H22N4O.ClH/c1-15-16(2)27-14-18(26-12-6-5-9-22(26)28)13-21(23(27)24-15)25-20-11-10-17-7-3-4-8-19(17)20;/h3-9,12-14,20,25H,10-11H2,1-2H3;1H
InChIKeyYVUBFRNYUBDAHV-UHFFFAOYSA-N
XLogP4.62
TPSA51.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.92
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2,3-dimethyl-8-(pyridin-3-ylmethylamino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 44583646
2-[8-(2,3-dihydro-1H-inden-1-ylamino)-2-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 70413535
N-(2,3-dimethylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43196442
8-(3,4-dihydro-1H-isochromen-4-ylamino)-N-(2-hydroxyethyl)-N,2,3-trimethylimidazo[1,2-a]pyridine-6-carboxamide
CID 57432317
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43195451
1-[4-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]butyl]pyridin-2-one
CID 99577336
1-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]pyridin-2-one
CID 102553129
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
N-(2-ethoxyphenyl)-2,3-dihydro-1H-inden-1-amine
CID 43191712
methyl 2-(2,3-dihydro-1H-inden-1-ylamino)-5-methylbenzoate
CID 43679244
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
CID 126448335
N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 91472583

Frequently Asked Questions

What is the IUPAC name of 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride?
The IUPAC name of 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride (CID 69229090) is 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride?
The canonical SMILES for 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride is Cc1nc2c(NC3CCc4ccccc43)cc(-n3ccccc3=O)cn2c1C.Cl.
What is the InChIKey of 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride?
The InChIKey is YVUBFRNYUBDAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O.ClH/c1-15-16(2)27-14-18(26-12-6-5-9-22(26)28)13-21(23(27)24-15)25-20-11-10-17-7-3-4-8-19(17)20;/h3-9,12-14,20,25H,10-11H2,1-2H3;1H.
What are the key properties of 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride?
1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride has a molecular weight of 406.92 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[8-(2,3-dihydro-1H-inden-1-ylamino)-2,3-dimethylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one;hydrochloride is sourced from PubChem (CID 69229090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).