[6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine

C20H20N6O2 — CID 137405105

IUPAC[6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine
SMILESCn1cc(-c2cnc3c(c2)ncn3Cc2ccc3c(c2)OCC(CN)O3)cn1
InChIInChI=1S/C20H20N6O2/c1-25-10-15(8-24-25)14-5-17-20(22-7-14)26(12-23-17)9-13-2-3-18-19(4-13)27-11-16(6-21)28-18/h2-5,7-8,10,12,16H,6,9,11,21H2,1H3
InChIKeyIMGNUIJDYQXVRB-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.98
Rot. Bonds4

About [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine

[6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine (PubChem CID 137405105) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine.

Molecular Properties

Compound Name[6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine
PubChem CID137405105
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name[6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine
SMILESCn1cc(-c2cnc3c(c2)ncn3Cc2ccc3c(c2)OCC(CN)O3)cn1
InChIInChI=1S/C20H20N6O2/c1-25-10-15(8-24-25)14-5-17-20(22-7-14)26(12-23-17)9-13-2-3-18-19(4-13)27-11-16(6-21)28-18/h2-5,7-8,10,12,16H,6,9,11,21H2,1H3
InChIKeyIMGNUIJDYQXVRB-UHFFFAOYSA-N
XLogP1.98
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine with MolForge

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Launch Full Analysis

Related Compounds

formic acid;3-[(5-methoxy-3-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 137404879
3-[(3-cyclopropyl-5-methoxy-2-methyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridine
CID 137404988
6-methoxy-3-[[2-(6-methoxy-3-pyridinyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl]imidazo[4,5-b]pyridine
CID 137405102
6-[[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514895
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-4-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 45252895
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 110090655
(3R)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 176991107
(3S)-3-ethyl-7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazine
CID 176991089
2,3-dihydro-1,4-benzodioxin-3-ylmethanamine
CID 15053
[(3R)-6-fluoro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 54112466
[4-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 105408567
3-benzyl-6-(2-methyltetrazol-5-yl)imidazo[4,5-b]pyridine
CID 150724508

Frequently Asked Questions

What is the IUPAC name of [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine?
The IUPAC name of [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine (CID 137405105) is [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine.
What is the SMILES notation for [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine?
The canonical SMILES for [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine is Cn1cc(-c2cnc3c(c2)ncn3Cc2ccc3c(c2)OCC(CN)O3)cn1.
What is the InChIKey of [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine?
The InChIKey is IMGNUIJDYQXVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-25-10-15(8-24-25)14-5-17-20(22-7-14)26(12-23-17)9-13-2-3-18-19(4-13)27-11-16(6-21)28-18/h2-5,7-8,10,12,16H,6,9,11,21H2,1H3.
What are the key properties of [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine?
[6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine has a molecular weight of 376.42 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[6-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyridin-3-yl]methyl]-2,3-dihydro-1,4-benzodioxin-2-yl]methanamine is sourced from PubChem (CID 137405105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).