4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

C23H21N3O4 — CID 7106793

IUPAC4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O
InChIInChI=1S/C23H21N3O4/c1-14-3-8-21-25-22(15-4-6-17(27)19(11-15)28-2)23(26(21)13-14)24-16-5-7-18-20(12-16)30-10-9-29-18/h3-8,11-13,24,27H,9-10H2,1-2H3
InChIKeyMONKOCZVNAKXRD-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.54
Rot. Bonds4

About 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol

4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (PubChem CID 7106793) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
PubChem CID7106793
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol
SMILESCOc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O
InChIInChI=1S/C23H21N3O4/c1-14-3-8-21-25-22(15-4-6-17(27)19(11-15)28-2)23(26(21)13-14)24-16-5-7-18-20(12-16)30-10-9-29-18/h3-8,11-13,24,27H,9-10H2,1-2H3
InChIKeyMONKOCZVNAKXRD-UHFFFAOYSA-N
XLogP4.54
TPSA77.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The IUPAC name of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol (CID 7106793) is 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol.
What is the SMILES notation for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The canonical SMILES for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is COc1cc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCCO3)ccc1O.
What is the InChIKey of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
The InChIKey is MONKOCZVNAKXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-14-3-8-21-25-22(15-4-6-17(27)19(11-15)28-2)23(26(21)13-14)24-16-5-7-18-20(12-16)30-10-9-29-18/h3-8,11-13,24,27H,9-10H2,1-2H3.
What are the key properties of 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol?
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol has a molecular weight of 403.44 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]-2-methoxyphenol is sourced from PubChem (CID 7106793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).