(1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine

C21H25N3O — CID 95853021

IUPAC(1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc([C@H](C)N(C)Cc2c(C3CC3)[nH]c3ncccc23)cc1
InChIInChI=1S/C21H25N3O/c1-14(15-8-10-17(25-3)11-9-15)24(2)13-19-18-5-4-12-22-21(18)23-20(19)16-6-7-16/h4-5,8-12,14,16H,6-7,13H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyDGBGCXDKPZAEEX-AWEZNQCLSA-N
MW335.45 g/mol
LogP4.64
Rot. Bonds6

About (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine

(1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine (PubChem CID 95853021) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine
PubChem CID95853021
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name(1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine
SMILESCOc1ccc([C@H](C)N(C)Cc2c(C3CC3)[nH]c3ncccc23)cc1
InChIInChI=1S/C21H25N3O/c1-14(15-8-10-17(25-3)11-9-15)24(2)13-19-18-5-4-12-22-21(18)23-20(19)16-6-7-16/h4-5,8-12,14,16H,6-7,13H2,1-3H3,(H,22,23)/t14-/m0/s1
InChIKeyDGBGCXDKPZAEEX-AWEZNQCLSA-N
XLogP4.64
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-cyclopentyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-ethylethanamine
CID 95853015
N-methyl-N-[(2-piperidin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]cyclohexanamine
CID 95854323
1-(3-ethoxyphenyl)-2-[methyl-[[2-(oxan-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methyl]amino]ethanol
CID 110235049
N-[1-(4-methoxyphenyl)ethyl]-N-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 71937920
1-[(3R)-3-[3-[[2-(2-methoxyphenoxy)ethyl-methylamino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 95854900
(1R,5R)-3-(4-methoxyphenyl)-8-[(2-propan-2-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 98133189
1-[(3S)-3-[3-[[methyl-[(2S)-2-phenylpropyl]amino]methyl]-1H-pyrrolo[2,3-b]pyridin-2-yl]piperidin-1-yl]ethanone
CID 124817903
3-[(4-ethylpiperazin-1-yl)methyl]-2-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 92591769
1-(4-methoxyphenyl)-N-methyl-N-(trimethylsilylmethyl)ethanamine
CID 15113037
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)-N-methylethanamine
CID 50969326
8-[(2-tert-butyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-3-(4-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 110233943
(1R)-1-(4-methoxyphenyl)-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]ethanamine
CID 95120184

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The IUPAC name of (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine (CID 95853021) is (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine.
What is the SMILES notation for (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The canonical SMILES for (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine is COc1ccc([C@H](C)N(C)Cc2c(C3CC3)[nH]c3ncccc23)cc1.
What is the InChIKey of (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
The InChIKey is DGBGCXDKPZAEEX-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14(15-8-10-17(25-3)11-9-15)24(2)13-19-18-5-4-12-22-21(18)23-20(19)16-6-7-16/h4-5,8-12,14,16H,6-7,13H2,1-3H3,(H,22,23)/t14-/m0/s1.
What are the key properties of (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine?
(1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine has a molecular weight of 335.45 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-cyclopropyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-1-(4-methoxyphenyl)-N-methylethanamine is sourced from PubChem (CID 95853021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).