N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine

C22H26N4O2 — CID 58512480

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCN1CCC(c2cn(C)c3nc(Nc4ccc5c(c4)OCCO5)ccc23)CC1
InChIInChI=1S/C22H26N4O2/c1-25-9-7-15(8-10-25)18-14-26(2)22-17(18)4-6-21(24-22)23-16-3-5-19-20(13-16)28-12-11-27-19/h3-6,13-15H,7-12H2,1-2H3,(H,23,24)
InChIKeyYCQQPSGUFXSOCM-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.90
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 58512480) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine
PubChem CID58512480
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCN1CCC(c2cn(C)c3nc(Nc4ccc5c(c4)OCCO5)ccc23)CC1
InChIInChI=1S/C22H26N4O2/c1-25-9-7-15(8-10-25)18-14-26(2)22-17(18)4-6-21(24-22)23-16-3-5-19-20(13-16)28-12-11-27-19/h3-6,13-15H,7-12H2,1-2H3,(H,23,24)
InChIKeyYCQQPSGUFXSOCM-UHFFFAOYSA-N
XLogP3.90
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine (CID 58512480) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine is CN1CCC(c2cn(C)c3nc(Nc4ccc5c(c4)OCCO5)ccc23)CC1.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is YCQQPSGUFXSOCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-25-9-7-15(8-10-25)18-14-26(2)22-17(18)4-6-21(24-22)23-16-3-5-19-20(13-16)28-12-11-27-19/h3-6,13-15H,7-12H2,1-2H3,(H,23,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 378.48 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 58512480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).