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

C22H28N4O2 — CID 58512544

IUPACN-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1ccc(Nc2ccc3c(C4CCN(C)CC4)cn(C)c3n2)cc1OC
InChIInChI=1S/C22H28N4O2/c1-25-11-9-15(10-12-25)18-14-26(2)22-17(18)6-8-21(24-22)23-16-5-7-19(27-3)20(13-16)28-4/h5-8,13-15H,9-12H2,1-4H3,(H,23,24)
InChIKeyAIDQRSWHXRGIGO-UHFFFAOYSA-N
MW380.49 g/mol
LogP4.14
Rot. Bonds5

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

N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 58512544) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine
PubChem CID58512544
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine
SMILESCOc1ccc(Nc2ccc3c(C4CCN(C)CC4)cn(C)c3n2)cc1OC
InChIInChI=1S/C22H28N4O2/c1-25-11-9-15(10-12-25)18-14-26(2)22-17(18)6-8-21(24-22)23-16-5-7-19(27-3)20(13-16)28-4/h5-8,13-15H,9-12H2,1-4H3,(H,23,24)
InChIKeyAIDQRSWHXRGIGO-UHFFFAOYSA-N
XLogP4.14
TPSA51.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine (CID 58512544) is N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine is COc1ccc(Nc2ccc3c(C4CCN(C)CC4)cn(C)c3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is AIDQRSWHXRGIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-25-11-9-15(10-12-25)18-14-26(2)22-17(18)6-8-21(24-22)23-16-5-7-19(27-3)20(13-16)28-4/h5-8,13-15H,9-12H2,1-4H3,(H,23,24).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine?
N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 380.49 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-methyl-3-(1-methylpiperidin-4-yl)pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 58512544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).