4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol

C21H17N3O3 — CID 7338736

IUPAC4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C21H17N3O3/c1-13-2-9-19-23-20(14-3-6-16(25)7-4-14)21(24(19)11-13)22-15-5-8-17-18(10-15)27-12-26-17/h2-11,22,25H,12H2,1H3
InChIKeyVEZNIGFZBHOYSN-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.49
Rot. Bonds3

About 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol

4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol (PubChem CID 7338736) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol.

Molecular Properties

Compound Name4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
PubChem CID7338736
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
SMILESCc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1
InChIInChI=1S/C21H17N3O3/c1-13-2-9-19-23-20(14-3-6-16(25)7-4-14)21(24(19)11-13)22-15-5-8-17-18(10-15)27-12-26-17/h2-11,22,25H,12H2,1H3
InChIKeyVEZNIGFZBHOYSN-UHFFFAOYSA-N
XLogP4.49
TPSA68.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1,3-benzodioxol-5-yl)-6-methyl-2-pyridin-3-ylimidazo[1,2-a]pyridin-3-amine
CID 15995780
4-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol
CID 102498211
4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]phenol
CID 135482448
2-(1,3-benzodioxol-5-yl)-N-tert-butyl-6-methylimidazo[1,2-a]pyridin-3-amine
CID 809308
N-(1,3-benzodioxol-5-yl)-6-chloro-2-pyridin-4-ylimidazo[1,2-a]pyridin-3-amine
CID 122174795
[4-[3-(1,3-benzodioxol-5-ylamino)-7-methylimidazo[1,2-a]pyridin-2-yl]phenyl]-trimethylazanium
CID 123546918
N-(1,3-benzodioxol-5-yl)-6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrazin-3-amine
CID 53211014
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(6-fluoro-2-pyridinyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 25115179
2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 63618611
N-(1,3-benzodioxol-5-yl)-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
CID 7299187
methyl 4-[3-(1,3-benzodioxol-5-ylamino)imidazo[1,2-a]pyrazin-2-yl]benzoate
CID 53003281
2-[2-(1,3-benzodioxol-5-yl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanamine
CID 39134449

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The IUPAC name of 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol (CID 7338736) is 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol.
What is the SMILES notation for 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The canonical SMILES for 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol is Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1.
What is the InChIKey of 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
The InChIKey is VEZNIGFZBHOYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-13-2-9-19-23-20(14-3-6-16(25)7-4-14)21(24(19)11-13)22-15-5-8-17-18(10-15)27-12-26-17/h2-11,22,25H,12H2,1H3.
What are the key properties of 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol?
4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol has a molecular weight of 359.39 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-benzodioxol-5-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenol is sourced from PubChem (CID 7338736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).