N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

C19H23FN4O3 — CID 176960672

IUPACN-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC(C)(CO)C(O)Nc1ccc(NC(=O)N2Cc3cc(F)cnc3C2)cc1
InChIInChI=1S/C19H23FN4O3/c1-19(2,11-25)17(26)22-14-3-5-15(6-4-14)23-18(27)24-9-12-7-13(20)8-21-16(12)10-24/h3-8,17,22,25-26H,9-11H2,1-2H3,(H,23,27)
InChIKeyLPYYJLJNKHSSPL-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.52
Rot. Bonds5

About N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (PubChem CID 176960672) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID176960672
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC NameN-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESCC(C)(CO)C(O)Nc1ccc(NC(=O)N2Cc3cc(F)cnc3C2)cc1
InChIInChI=1S/C19H23FN4O3/c1-19(2,11-25)17(26)22-14-3-5-15(6-4-14)23-18(27)24-9-12-7-13(20)8-21-16(12)10-24/h3-8,17,22,25-26H,9-11H2,1-2H3,(H,23,27)
InChIKeyLPYYJLJNKHSSPL-UHFFFAOYSA-N
XLogP2.52
TPSA97.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide 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

3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176961054
3-fluoro-N-[4-[1-[methyl(oxan-4-ylmethyl)carbamoyl]piperidin-4-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176960841
ethane;5-fluoro-N-(4-heptan-4-ylphenyl)-1,3-dihydroisoindole-2-carboxamide
CID 176960851
N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960821
5-fluoro-N-[4-[3-[(2-hydroxy-2-methylpropyl)-methylcarbamoyl]-1-bicyclo[1.1.1]pentanyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960520
N-[4-[4-(dihydroxymethyl)cyclohexyl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960746
N-(4-fluorophenyl)-8,9-dihydro-6H-pyrido[4,3-b][1,8]naphthyridine-7-carboxamide
CID 163350838
N-(2,3-dimethylquinoxalin-6-yl)-2-(2-methylpropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 118773443
5-fluoro-N-[4-[1-[3-(3-hydroxy-3-methylbutyl)sulfonylpropyl]cyclohexyl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960523
4-(5-fluoro-2-pyridinyl)-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 139547744
N-(3,4-dichlorophenyl)-6-fluoro-3,4-dihydro-1H-2,7-naphthyridine-2-carboxamide
CID 162376975
N-(2-fluorophenyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide
CID 90585516

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (CID 176960672) is N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is CC(C)(CO)C(O)Nc1ccc(NC(=O)N2Cc3cc(F)cnc3C2)cc1.
What is the InChIKey of N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is LPYYJLJNKHSSPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-19(2,11-25)17(26)22-14-3-5-15(6-4-14)23-18(27)24-9-12-7-13(20)8-21-16(12)10-24/h3-8,17,22,25-26H,9-11H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 2.52, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 176960672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).