(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone

C22H21N3O3 — CID 67571288

IUPAC(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CNc3ncc(Nc4ccccc4)cc32)c1
InChIInChI=1S/C22H21N3O3/c1-27-17-8-14(9-18(11-17)28-2)21(26)20-13-24-22-19(20)10-16(12-23-22)25-15-6-4-3-5-7-15/h3-12,20,25H,13H2,1-2H3,(H,23,24)
InChIKeyHRNGSMZMFKEMLU-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.23
Rot. Bonds6

About (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone

(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone (PubChem CID 67571288) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
PubChem CID67571288
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
SMILESCOc1cc(OC)cc(C(=O)C2CNc3ncc(Nc4ccccc4)cc32)c1
InChIInChI=1S/C22H21N3O3/c1-27-17-8-14(9-18(11-17)28-2)21(26)20-13-24-22-19(20)10-16(12-23-22)25-15-6-4-3-5-7-15/h3-12,20,25H,13H2,1-2H3,(H,23,24)
InChIKeyHRNGSMZMFKEMLU-UHFFFAOYSA-N
XLogP4.23
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone 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

2,3-dihydro-1H-indol-3-yl-(3,5-dimethoxyphenyl)methanone
CID 116594626
(4-anilino-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone
CID 58086473
methane;3-methoxy-5-(pyridin-4-ylamino)benzoic acid
CID 178157610
(5-bromo-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone
CID 70673533
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
4-(3-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218773
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
3-methoxy-5-methyl-N-phenylaniline
CID 139833752
1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
(2R)-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxo-N-phenylpropanamide
CID 98450161

Frequently Asked Questions

What is the IUPAC name of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone?
The IUPAC name of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone (CID 67571288) is (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone.
What is the SMILES notation for (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone?
The canonical SMILES for (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone is COc1cc(OC)cc(C(=O)C2CNc3ncc(Nc4ccccc4)cc32)c1.
What is the InChIKey of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone?
The InChIKey is HRNGSMZMFKEMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-17-8-14(9-18(11-17)28-2)21(26)20-13-24-22-19(20)10-16(12-23-22)25-15-6-4-3-5-7-15/h3-12,20,25H,13H2,1-2H3,(H,23,24).
What are the key properties of (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone?
(5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone has a molecular weight of 375.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-anilino-2,3-dihydro-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3,5-dimethoxyphenyl)methanone is sourced from PubChem (CID 67571288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).