3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

C19H22FN5O3S — CID 176961054

IUPAC3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNS(=O)(=O)N1CCC(c2ccc(NC(=O)N3Cc4cc(F)cnc4C3)cc2)CC1
InChIInChI=1S/C19H22FN5O3S/c20-16-9-15-11-24(12-18(15)22-10-16)19(26)23-17-3-1-13(2-4-17)14-5-7-25(8-6-14)29(21,27)28/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)(H2,21,27,28)
InChIKeyKZOQDIGJVASELN-UHFFFAOYSA-N
MW419.48 g/mol
LogP2.15
Rot. Bonds3

About 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide

3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (PubChem CID 176961054) has the molecular formula C19H22FN5O3S and a molecular weight of 419.48 g/mol. Its IUPAC name is 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
PubChem CID176961054
Molecular FormulaC19H22FN5O3S
Molecular Weight419.48 g/mol
Exact Mass419.14
IUPAC Name3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
SMILESNS(=O)(=O)N1CCC(c2ccc(NC(=O)N3Cc4cc(F)cnc4C3)cc2)CC1
InChIInChI=1S/C19H22FN5O3S/c20-16-9-15-11-24(12-18(15)22-10-16)19(26)23-17-3-1-13(2-4-17)14-5-7-25(8-6-14)29(21,27)28/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)(H2,21,27,28)
InChIKeyKZOQDIGJVASELN-UHFFFAOYSA-N
XLogP2.15
TPSA108.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-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-[methyl(oxan-4-ylmethyl)carbamoyl]piperidin-4-yl]phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176960841
N-[4-[(1,3-dihydroxy-2,2-dimethylpropyl)amino]phenyl]-3-fluoro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 176960672
4,6-difluoro-N-[4-[1-(2-fluoroethylcarbamoyl)piperidin-4-yl]phenyl]-1,3-dihydroisoindole-2-carboxamide
CID 176960577
N-(3,5-difluoro-2-pyridinyl)-4-[4-[(3-ethoxyphenyl)carbamoylamino]phenyl]piperidine-1-carboxamide
CID 69452897
N-[4-[4-(dihydroxymethyl)cyclohexyl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960746
N-(4-cyclohexylphenyl)-1,3-dihydroisoindole-2-carboxamide;ethane
CID 176960927
N-[4-[1-(2,2-dimethylpropylcarbamoyl)piperidin-4-yl]phenyl]-4,6-difluoro-1,3-dihydroisoindole-2-carboxamide
CID 176960821
N-(4-cyclohexylphenyl)-4-methylpiperazine-1-carboxamide
CID 166373547
N-(3-fluorophenyl)-4-sulfamoylpiperazine-1-carboxamide
CID 61131305
(3R)-3-amino-N-(4-cyclohexylphenyl)piperidine-1-carboxamide
CID 125156002
N-(4-fluorophenyl)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 110214013
1-[1-(azocan-1-ylsulfonyl)piperidin-4-yl]oxy-3-(4-fluorophenyl)urea
CID 44553624

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The IUPAC name of 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide (CID 176961054) is 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is NS(=O)(=O)N1CCC(c2ccc(NC(=O)N3Cc4cc(F)cnc4C3)cc2)CC1.
What is the InChIKey of 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
The InChIKey is KZOQDIGJVASELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O3S/c20-16-9-15-11-24(12-18(15)22-10-16)19(26)23-17-3-1-13(2-4-17)14-5-7-25(8-6-14)29(21,27)28/h1-4,9-10,14H,5-8,11-12H2,(H,23,26)(H2,21,27,28).
What are the key properties of 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide?
3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide has a molecular weight of 419.48 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(1-sulfamoylpiperidin-4-yl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxamide is sourced from PubChem (CID 176961054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).