N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

C22H23FN6O2S — CID 167337299

IUPACN-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CC[C@@H](NS(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C22H23FN6O2S/c1-15-9-22-16(11-25-29(22)19-5-3-17(23)4-6-19)10-21(15)28-8-7-18(13-28)26-32(30,31)20-12-24-27(2)14-20/h3-6,9-12,14,18,26H,7-8,13H2,1-2H3/t18-/m1/s1
InChIKeyAJJZMBPPGIEHDD-GOSISDBHSA-N
MW454.53 g/mol
LogP2.76
Rot. Bonds5

About N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide

N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (PubChem CID 167337299) has the molecular formula C22H23FN6O2S and a molecular weight of 454.53 g/mol. Its IUPAC name is N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
PubChem CID167337299
Molecular FormulaC22H23FN6O2S
Molecular Weight454.53 g/mol
Exact Mass454.16
IUPAC NameN-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CC[C@@H](NS(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C22H23FN6O2S/c1-15-9-22-16(11-25-29(22)19-5-3-17(23)4-6-19)10-21(15)28-8-7-18(13-28)26-32(30,31)20-12-24-27(2)14-20/h3-6,9-12,14,18,26H,7-8,13H2,1-2H3/t18-/m1/s1
InChIKeyAJJZMBPPGIEHDD-GOSISDBHSA-N
XLogP2.76
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]methanesulfonamide
CID 166916424
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-N-methylpyrrolidine-3-sulfonamide
CID 163977915
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrazol-4-yl)sulfanylpiperidin-1-yl]indazole
CID 166917364
N-[1-(4-chlorophenyl)pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide
CID 84596417
N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 74324161
5-[4-[1-(cyclopropylmethyl)pyrazol-4-yl]sulfonyl-3-methylpiperazin-1-yl]-1-(4-fluorophenyl)-6-methylindazole
CID 174232051
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-3-methylpyrrolidin-3-yl]-1-propylpyrazole-4-sulfonamide
CID 166917285
[7-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4,7-diazaspiro[2.5]octan-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 166916420
1-(4-fluorophenyl)-6-methyl-5-[5-(1-propylpyrazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-1-yl]indazole
CID 166916265
1-(4-fluorophenyl)-6-methyl-5-[4-(1-methylpyrrol-3-yl)sulfonyl-4,7-diazaspiro[2.5]octan-7-yl]indazole
CID 170273752
N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 74324563
N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24816318

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide (CID 167337299) is N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CC[C@@H](NS(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
The InChIKey is AJJZMBPPGIEHDD-GOSISDBHSA-N. The full InChI is InChI=1S/C22H23FN6O2S/c1-15-9-22-16(11-25-29(22)19-5-3-17(23)4-6-19)10-21(15)28-8-7-18(13-28)26-32(30,31)20-12-24-27(2)14-20/h3-6,9-12,14,18,26H,7-8,13H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide?
N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide has a molecular weight of 454.53 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]pyrrolidin-3-yl]-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 167337299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).