3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone

C27H30N4O3 — CID 145492070

IUPAC3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone
SMILESCNc1ccccc1C(=O)N1CCOCC1.COc1ccccc1-c1c[nH]c2ncc(C)cc12
InChIInChI=1S/C15H14N2O.C12H16N2O2/c1-10-7-12-13(9-17-15(12)16-8-10)11-5-3-4-6-14(11)18-2;1-13-11-5-3-2-4-10(11)12(15)14-6-8-16-9-7-14/h3-9H,1-2H3,(H,16,17);2-5,13H,6-9H2,1H3
InChIKeyBYMQXDDURAKXFA-UHFFFAOYSA-N
MW458.56 g/mol
LogP4.75
Rot. Bonds4

About 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone

3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone (PubChem CID 145492070) has the molecular formula C27H30N4O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone
PubChem CID145492070
Molecular FormulaC27H30N4O3
Molecular Weight458.56 g/mol
Exact Mass458.23
IUPAC Name3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone
SMILESCNc1ccccc1C(=O)N1CCOCC1.COc1ccccc1-c1c[nH]c2ncc(C)cc12
InChIInChI=1S/C15H14N2O.C12H16N2O2/c1-10-7-12-13(9-17-15(12)16-8-10)11-5-3-4-6-14(11)18-2;1-13-11-5-3-2-4-10(11)12(15)14-6-8-16-9-7-14/h3-9H,1-2H3,(H,16,17);2-5,13H,6-9H2,1H3
InChIKeyBYMQXDDURAKXFA-UHFFFAOYSA-N
XLogP4.75
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.56
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone 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

methyl N-[4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-(piperidine-1-carbonyl)phenyl]carbamate
CID 71055110
[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
formaldehyde;[2-(hydroxymethylamino)-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-pyrrolidin-1-ylmethanone
CID 145492241
[4-(2-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-6-yl]-morpholin-4-ylmethanone
CID 134788228
[3-[3-(2-ethoxy-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70960684
[1-(methylamino)isoquinolin-4-yl]-morpholin-4-ylmethanone
CID 106770053
[2-(cyclohexylamino)-3-fluoro-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-[3-(methylamino)pyrrolidin-1-yl]methanone
CID 145492372
5-(2-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-oxazole-4-carboxamide
CID 126468353
[5-methyl-4-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]-morpholin-4-ylmethanone
CID 11661380
aziridin-1-yl-[2-(methylamino)phenyl]methanone
CID 165349679
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590
N-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-2-methoxyacetamide
CID 59700215

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone (CID 145492070) is 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone is CNc1ccccc1C(=O)N1CCOCC1.COc1ccccc1-c1c[nH]c2ncc(C)cc12.
What is the InChIKey of 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone?
The InChIKey is BYMQXDDURAKXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O.C12H16N2O2/c1-10-7-12-13(9-17-15(12)16-8-10)11-5-3-4-6-14(11)18-2;1-13-11-5-3-2-4-10(11)12(15)14-6-8-16-9-7-14/h3-9H,1-2H3,(H,16,17);2-5,13H,6-9H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone?
3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone has a molecular weight of 458.56 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-5-methyl-1H-pyrrolo[2,3-b]pyridine;[2-(methylamino)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 145492070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).