(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol

C19H22FN3O — CID 146288476

IUPAC(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccc2c(Nc3c(C)cc(F)cc3C)nccc21
InChIInChI=1S/C19H22FN3O/c1-4-15(24)11-23-8-6-16-17(23)5-7-21-19(16)22-18-12(2)9-14(20)10-13(18)3/h5-10,15,24H,4,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyMKNMYOLEVOVSTM-OAHLLOKOSA-N
MW327.40 g/mol
LogP4.31
Rot. Bonds5

About (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol

(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol (PubChem CID 146288476) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
PubChem CID146288476
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol
SMILESCC[C@@H](O)Cn1ccc2c(Nc3c(C)cc(F)cc3C)nccc21
InChIInChI=1S/C19H22FN3O/c1-4-15(24)11-23-8-6-16-17(23)5-7-21-19(16)22-18-12(2)9-14(20)10-13(18)3/h5-10,15,24H,4,11H2,1-3H3,(H,21,22)/t15-/m1/s1
InChIKeyMKNMYOLEVOVSTM-OAHLLOKOSA-N
XLogP4.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol 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

(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;(2S)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol;methane
CID 158234871
3-chloro-4-[[1-[(2R)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;3-chloro-4-[[1-[(2S)-2-hydroxybutyl]pyrrolo[3,2-c]pyridin-4-yl]amino]-5-methylbenzonitrile;methane
CID 158948723
N-(2,4-dimethyl-3-pyridinyl)-1-(2-fluorobutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162464315
2-[4-(2,4-difluoro-6-methylanilino)pyrrolo[3,2-c]pyridin-1-yl]-N-methylacetamide
CID 153376780
N-(2,4-dimethyl-3-pyridinyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288653
2-[4-[4-fluoro-2-methyl-6-(trifluoromethyl)anilino]pyrrolo[3,2-c]pyridin-1-yl]-N,N-dimethylacetamide
CID 146283885
4-[(1-butylpyrrolo[3,2-c]pyridin-4-yl)amino]-N,3,5-trimethylbenzamide
CID 146288647
N-(2,6-dichlorophenyl)-1-(2-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine
CID 146288432
cobalt;[1-hydroxy-2-[4-[[2-(2-hydroxypropan-2-yl)-4-methyl-3-pyridinyl]amino]pyrrolo[3,2-c]pyridin-1-yl]ethyl]-methylazanide
CID 153376810
1-(2,2-difluoropropyl)-N-(2,4,6-trimethyl-3-pyridinyl)pyrrolo[3,2-c]pyridin-4-amine
CID 162002734
N-(3,5-dimethyl-4-pyridinyl)-1-(3-methylbutyl)pyrrolo[3,2-c]pyridin-4-amine;ethane
CID 153376876
N-(2,6-dichloro-4-fluorophenyl)-1-[(1-methylimidazol-4-yl)methyl]pyrrolo[3,2-c]pyridin-4-amine
CID 146288302

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol?
The IUPAC name of (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol (CID 146288476) is (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol.
What is the SMILES notation for (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol?
The canonical SMILES for (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol is CC[C@@H](O)Cn1ccc2c(Nc3c(C)cc(F)cc3C)nccc21.
What is the InChIKey of (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol?
The InChIKey is MKNMYOLEVOVSTM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-4-15(24)11-23-8-6-16-17(23)5-7-21-19(16)22-18-12(2)9-14(20)10-13(18)3/h5-10,15,24H,4,11H2,1-3H3,(H,21,22)/t15-/m1/s1.
What are the key properties of (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol?
(2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol has a molecular weight of 327.40 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(4-fluoro-2,6-dimethylanilino)pyrrolo[3,2-c]pyridin-1-yl]butan-2-ol is sourced from PubChem (CID 146288476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).