(3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one

C23H19N3O3 — CID 58229083

IUPAC(3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one
SMILESCOc1ccc([C@H]2c3ccccc3C(=O)N2c2ccn3ccnc3c2)cc1OC
InChIInChI=1S/C23H19N3O3/c1-28-19-8-7-15(13-20(19)29-2)22-17-5-3-4-6-18(17)23(27)26(22)16-9-11-25-12-10-24-21(25)14-16/h3-14,22H,1-2H3/t22-/m0/s1
InChIKeyJQLLAUHCDPNUKE-QFIPXVFZSA-N
MW385.42 g/mol
LogP4.10
Rot. Bonds4

About (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one

(3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one (PubChem CID 58229083) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one
PubChem CID58229083
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC Name(3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one
SMILESCOc1ccc([C@H]2c3ccccc3C(=O)N2c2ccn3ccnc3c2)cc1OC
InChIInChI=1S/C23H19N3O3/c1-28-19-8-7-15(13-20(19)29-2)22-17-5-3-4-6-18(17)23(27)26(22)16-9-11-25-12-10-24-21(25)14-16/h3-14,22H,1-2H3/t22-/m0/s1
InChIKeyJQLLAUHCDPNUKE-QFIPXVFZSA-N
XLogP4.10
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-(1,3-Benzodioxol-5-yl)-5-(2-pyridinyl)-1H-imidazol-2-yl)benzamide
CID 4521392
SIS3 free base
CID 10138988
Bay 61-3606
CID 10200390
JAK inhibitor 17b
CID 137321156
[1-[[3-(1,3-Benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 397855
9-Cycloheptyl-4,5-dimethoxy-9,14,16-triazatetracyclo[8.7.0.02,7.011,15]heptadeca-1(17),2,4,6,10,12,15-heptaen-8-one
CID 138585023
N-[(1,3-benzodioxol-5-yl)methyl]-1-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]-4-(phenylcarbonyl)-2-piperazineacetamide
CID 16114868
[1-[[3-(1,3-Benzodioxol-5-ylmethyl)imidazol-4-yl]methyl]-4-naphthalen-1-ylpyrrol-3-yl]-(4-methylpiperazin-1-yl)methanone;dihydrochloride
CID 45261470
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 3240486
3,4,5-trimethoxy-N-(3-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 983446
3,4,5-trimethoxy-N-(3-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl)benzamide
CID 1084380
Piperazine, 1-[2-amino-6-(3,4-dimethoxyphenyl)-4-pteridinyl]-4-benzoyl-
CID 11374836

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one?
The IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one (CID 58229083) is (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one.
What is the SMILES notation for (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one?
The canonical SMILES for (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one is COc1ccc([C@H]2c3ccccc3C(=O)N2c2ccn3ccnc3c2)cc1OC.
What is the InChIKey of (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one?
The InChIKey is JQLLAUHCDPNUKE-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-19-8-7-15(13-20(19)29-2)22-17-5-3-4-6-18(17)23(27)26(22)16-9-11-25-12-10-24-21(25)14-16/h3-14,22H,1-2H3/t22-/m0/s1.
What are the key properties of (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one?
(3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one has a molecular weight of 385.42 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethoxyphenyl)-2-imidazo[1,2-a]pyridin-7-yl-3H-isoindol-1-one is sourced from PubChem (CID 58229083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).