3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine

C22H26N4O3 — CID 42420359

IUPAC3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
SMILESCOCc1nc2cccnc2n1C1CCN(Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H26N4O3/c1-27-15-21-24-18-3-2-8-23-22(18)26(21)17-6-9-25(10-7-17)14-16-4-5-19-20(13-16)29-12-11-28-19/h2-5,8,13,17H,6-7,9-12,14-15H2,1H3
InChIKeyVLIULAOMSXRWQS-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.19
Rot. Bonds5

About 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine

3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine (PubChem CID 42420359) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
PubChem CID42420359
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine
SMILESCOCc1nc2cccnc2n1C1CCN(Cc2ccc3c(c2)OCCO3)CC1
InChIInChI=1S/C22H26N4O3/c1-27-15-21-24-18-3-2-8-23-22(18)26(21)17-6-9-25(10-7-17)14-16-4-5-19-20(13-16)29-12-11-28-19/h2-5,8,13,17H,6-7,9-12,14-15H2,1H3
InChIKeyVLIULAOMSXRWQS-UHFFFAOYSA-N
XLogP3.19
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-2-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-b]pyridine
CID 42431690
2-[(4-fluorophenyl)methyl]-3-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42278085
2-(methoxymethyl)-3-[1-[1-(2-methoxyphenyl)propan-2-yl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 126466902
2-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42276683
2-(methoxymethyl)-3-[1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 46286841
2-cyclobutyl-3-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]imidazo[4,5-b]pyridine
CID 42473072
6-[[4-(2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methyl]quinoxaline
CID 26400784
4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 46286666
N-(4-ethoxyphenyl)-4-[2-(methoxymethyl)imidazo[4,5-b]pyridin-3-yl]piperidine-1-carboxamide
CID 46286663
[5-(methoxymethyl)furan-2-yl]-[4-[2-(2-phenylethyl)imidazo[4,5-b]pyridin-3-yl]piperidin-1-yl]methanone
CID 42167277
1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidine-4-carbonitrile
CID 119103462
2-(2-methoxyethyl)-3-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117159846

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine (CID 42420359) is 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine is COCc1nc2cccnc2n1C1CCN(Cc2ccc3c(c2)OCCO3)CC1.
What is the InChIKey of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine?
The InChIKey is VLIULAOMSXRWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-27-15-21-24-18-3-2-8-23-22(18)26(21)17-6-9-25(10-7-17)14-16-4-5-19-20(13-16)29-12-11-28-19/h2-5,8,13,17H,6-7,9-12,14-15H2,1H3.
What are the key properties of 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine?
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine has a molecular weight of 394.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-2-(methoxymethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 42420359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).