N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide

C24H26N6O5S — CID 52941692

IUPACN-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cnc(N)c(NS(=O)(=O)N5CCOCC5)c4)cc23)cc1OC
InChIInChI=1S/C24H26N6O5S/c1-33-21-4-3-15(11-22(21)34-2)19-14-28-24-18(19)9-16(13-27-24)17-10-20(23(25)26-12-17)29-36(31,32)30-5-7-35-8-6-30/h3-4,9-14,29H,5-8H2,1-2H3,(H2,25,26)(H,27,28)
InChIKeyHRTVHPLIMOZUSK-UHFFFAOYSA-N
MW510.58 g/mol
LogP2.88
Rot. Bonds7

About N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide

N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide (PubChem CID 52941692) has the molecular formula C24H26N6O5S and a molecular weight of 510.58 g/mol. Its IUPAC name is N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide.

Molecular Properties

Compound NameN-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide
PubChem CID52941692
Molecular FormulaC24H26N6O5S
Molecular Weight510.58 g/mol
Exact Mass510.17
IUPAC NameN-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide
SMILESCOc1ccc(-c2c[nH]c3ncc(-c4cnc(N)c(NS(=O)(=O)N5CCOCC5)c4)cc23)cc1OC
InChIInChI=1S/C24H26N6O5S/c1-33-21-4-3-15(11-22(21)34-2)19-14-28-24-18(19)9-16(13-27-24)17-10-20(23(25)26-12-17)29-36(31,32)30-5-7-35-8-6-30/h3-4,9-14,29H,5-8H2,1-2H3,(H2,25,26)(H,27,28)
InChIKeyHRTVHPLIMOZUSK-UHFFFAOYSA-N
XLogP2.88
TPSA144.69 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.58
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide?
The IUPAC name of N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide (CID 52941692) is N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide.
What is the SMILES notation for N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide?
The canonical SMILES for N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide is COc1ccc(-c2c[nH]c3ncc(-c4cnc(N)c(NS(=O)(=O)N5CCOCC5)c4)cc23)cc1OC.
What is the InChIKey of N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide?
The InChIKey is HRTVHPLIMOZUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O5S/c1-33-21-4-3-15(11-22(21)34-2)19-14-28-24-18(19)9-16(13-27-24)17-10-20(23(25)26-12-17)29-36(31,32)30-5-7-35-8-6-30/h3-4,9-14,29H,5-8H2,1-2H3,(H2,25,26)(H,27,28).
What are the key properties of N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide?
N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide has a molecular weight of 510.58 g/mol, XLogP of 2.88, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-5-[3-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]morpholine-4-sulfonamide is sourced from PubChem (CID 52941692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).