N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide

C23H22FN5O4S — CID 18317821

IUPACN-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide
SMILESCn1cnc2c1C(c1ccc(C#N)c(F)c1)N(C(=O)CCNS(=O)(=O)c1cccc(O)c1)CC2
InChIInChI=1S/C23H22FN5O4S/c1-28-14-26-20-8-10-29(22(23(20)28)15-5-6-16(13-25)19(24)11-15)21(31)7-9-27-34(32,33)18-4-2-3-17(30)12-18/h2-6,11-12,14,22,27,30H,7-10H2,1H3
InChIKeyRZMVFAWEXORLDW-UHFFFAOYSA-N
MW483.53 g/mol
LogP1.98
Rot. Bonds6

About N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide

N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide (PubChem CID 18317821) has the molecular formula C23H22FN5O4S and a molecular weight of 483.53 g/mol. Its IUPAC name is N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide
PubChem CID18317821
Molecular FormulaC23H22FN5O4S
Molecular Weight483.53 g/mol
Exact Mass483.14
IUPAC NameN-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide
SMILESCn1cnc2c1C(c1ccc(C#N)c(F)c1)N(C(=O)CCNS(=O)(=O)c1cccc(O)c1)CC2
InChIInChI=1S/C23H22FN5O4S/c1-28-14-26-20-8-10-29(22(23(20)28)15-5-6-16(13-25)19(24)11-15)21(31)7-9-27-34(32,33)18-4-2-3-17(30)12-18/h2-6,11-12,14,22,27,30H,7-10H2,1H3
InChIKeyRZMVFAWEXORLDW-UHFFFAOYSA-N
XLogP1.98
TPSA128.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide with MolForge

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Related Compounds

N-[3-[[(4-cyano-3-fluorophenyl)-(4-fluorophenyl)-(3-methylimidazol-4-yl)methyl]amino]propyl]-3-hydroxybenzenesulfonamide;2,2,2-trifluoroacetic acid
CID 18629443
3-[(3-cyano-4-fluorophenyl)sulfonylamino]propanoic acid
CID 63288390
N-[3-(4-cyanopiperidin-1-yl)-3-oxopropyl]-3,4-difluorobenzenesulfonamide
CID 49063928
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480
2-[3-(benzenesulfonamido)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 120521015
3,4-difluoro-N-[3-[4-(2-hydroxybenzoyl)piperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 55851497
3-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 81259081
N-[2-[7-[3-(4-cyanophenoxy)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]-3-fluorobenzenesulfonamide
CID 11663145
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
4-chloro-N-[3-[2-(4-methyl-1,2,4-triazol-3-yl)pyrrolidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 71905447
3-hydroxy-N-[3-(methanesulfonamido)propyl]benzenesulfonamide
CID 106340026
3,4-difluoro-N-[3-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 24546937

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide?
The IUPAC name of N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide (CID 18317821) is N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide.
What is the SMILES notation for N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide?
The canonical SMILES for N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide is Cn1cnc2c1C(c1ccc(C#N)c(F)c1)N(C(=O)CCNS(=O)(=O)c1cccc(O)c1)CC2.
What is the InChIKey of N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide?
The InChIKey is RZMVFAWEXORLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O4S/c1-28-14-26-20-8-10-29(22(23(20)28)15-5-6-16(13-25)19(24)11-15)21(31)7-9-27-34(32,33)18-4-2-3-17(30)12-18/h2-6,11-12,14,22,27,30H,7-10H2,1H3.
What are the key properties of N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide?
N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide has a molecular weight of 483.53 g/mol, XLogP of 1.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(4-cyano-3-fluorophenyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-3-oxopropyl]-3-hydroxybenzenesulfonamide is sourced from PubChem (CID 18317821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).