2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

C23H29N3O3 — CID 92607506

IUPAC2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCOc1ccc(CCN(C)Cc2c([C@H]3CCCO3)[nH]c3ncccc23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-26(12-10-16-8-9-19(27-2)21(14-16)28-3)15-18-17-6-4-11-24-23(17)25-22(18)20-7-5-13-29-20/h4,6,8-9,11,14,20H,5,7,10,12-13,15H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyXFFVVRJBVCKTRI-HXUWFJFHSA-N
MW395.50 g/mol
LogP4.11
Rot. Bonds8

About 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine

2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (PubChem CID 92607506) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
PubChem CID92607506
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
SMILESCOc1ccc(CCN(C)Cc2c([C@H]3CCCO3)[nH]c3ncccc23)cc1OC
InChIInChI=1S/C23H29N3O3/c1-26(12-10-16-8-9-19(27-2)21(14-16)28-3)15-18-17-6-4-11-24-23(17)25-22(18)20-7-5-13-29-20/h4,6,8-9,11,14,20H,5,7,10,12-13,15H2,1-3H3,(H,24,25)/t20-/m1/s1
InChIKeyXFFVVRJBVCKTRI-HXUWFJFHSA-N
XLogP4.11
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

3-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 20879786
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CID 1376281
3-[(3,4-dimethoxyphenyl)methyl-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]amino]propan-1-ol
CID 46951051
2-(3,4-dimethoxyphenyl)-N-ethyl-N-methylethanamine
CID 18789952
2-(3,4-dimethoxyphenyl)-N-methyl-N-(morpholin-2-ylmethyl)ethanamine
CID 42849152
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[(3R)-1-methylpyrrolidin-3-yl]methyl]ethanamine
CID 124753174
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(oxolan-2-yl)thiophene-2-carboxamide
CID 74250771
2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 8682026
3-(3,4-dimethoxyphenyl)-N-[2-(oxolan-2-yl)-3H-benzimidazol-5-yl]propanamide
CID 47825850
2-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95897270
2-[[2-(3,4-dimethoxyphenyl)ethyl-methylamino]methyl]pyrimidin-4-amine
CID 75431201
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[3-(2-piperidin-1-ylethyl)phenyl]methyl]ethanamine
CID 71034554

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine (CID 92607506) is 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is COc1ccc(CCN(C)Cc2c([C@H]3CCCO3)[nH]c3ncccc23)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
The InChIKey is XFFVVRJBVCKTRI-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-26(12-10-16-8-9-19(27-2)21(14-16)28-3)15-18-17-6-4-11-24-23(17)25-22(18)20-7-5-13-29-20/h4,6,8-9,11,14,20H,5,7,10,12-13,15H2,1-3H3,(H,24,25)/t20-/m1/s1.
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine?
2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine has a molecular weight of 395.50 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-methyl-N-[[2-[(2R)-oxolan-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine is sourced from PubChem (CID 92607506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).