5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine

C24H25N5O5S — CID 50925574

IUPAC5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cnc(N)c(S(=O)(=O)N5CCOCC5)c4)cc23)cc1OC
InChIInChI=1S/C24H25N5O5S/c1-32-20-4-3-15(10-21(20)33-2)19-14-28-24-18(19)9-16(13-27-24)17-11-22(23(25)26-12-17)35(30,31)29-5-7-34-8-6-29/h3-4,9-14H,5-8H2,1-2H3,(H2,25,26)(H,27,28)
InChIKeyXBPKXRHEGHIGJP-UHFFFAOYSA-N
MW495.56 g/mol
LogP2.91
Rot. Bonds6

About 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine

5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine (PubChem CID 50925574) has the molecular formula C24H25N5O5S and a molecular weight of 495.56 g/mol. Its IUPAC name is 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound Name5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine
PubChem CID50925574
Molecular FormulaC24H25N5O5S
Molecular Weight495.56 g/mol
Exact Mass495.16
IUPAC Name5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cnc(N)c(S(=O)(=O)N5CCOCC5)c4)cc23)cc1OC
InChIInChI=1S/C24H25N5O5S/c1-32-20-4-3-15(10-21(20)33-2)19-14-28-24-18(19)9-16(13-27-24)17-11-22(23(25)26-12-17)35(30,31)29-5-7-34-8-6-29/h3-4,9-14H,5-8H2,1-2H3,(H2,25,26)(H,27,28)
InChIKeyXBPKXRHEGHIGJP-UHFFFAOYSA-N
XLogP2.91
TPSA132.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.56
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine 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

AAK1-IN-21b
CID 138393295
5-(3,4-Dimethoxyphenyl)-3-(4-pyridinyl)-1h-pyrrolo[2,3-b]pyridine
CID 11953179
N-(5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-yl)benzenesulfonamide
CID 50925576
5-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)pyridin-3-amine
CID 52950012
N-(3-(3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)benzenesulfonamide
CID 52950013
3-(3,4-dimethoxyphenyl)-5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridine
CID 57598055
5-(3,4-Dimethoxyphenyl)-3-(phenylethynyl)-1H-pyrrolo[2,3-b]pyridine
CID 57891796
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699896
5-(3,4-Dimethoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine
CID 59699998
4-[5-(3-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706513
3,5-bis(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 72792686
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine?
The IUPAC name of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine (CID 50925574) is 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine.
What is the SMILES notation for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine?
The canonical SMILES for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine is COc1ccc(-c2c[nH]c3ncc(-c4cnc(N)c(S(=O)(=O)N5CCOCC5)c4)cc23)cc1OC.
What is the InChIKey of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine?
The InChIKey is XBPKXRHEGHIGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O5S/c1-32-20-4-3-15(10-21(20)33-2)19-14-28-24-18(19)9-16(13-27-24)17-11-22(23(25)26-12-17)35(30,31)29-5-7-34-8-6-29/h3-4,9-14H,5-8H2,1-2H3,(H2,25,26)(H,27,28).
What are the key properties of 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine?
5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine has a molecular weight of 495.56 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-morpholin-4-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 50925574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).