2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide

C23H26FN5O4S — CID 175971349

IUPAC2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide
SMILESCc1cc(S(=O)(=O)N2CC[C@@H](NC(=O)c3ccc(N4CCOCC4)cc3F)C2)c2[nH]ncc2c1
InChIInChI=1S/C23H26FN5O4S/c1-15-10-16-13-25-27-22(16)21(11-15)34(31,32)29-5-4-17(14-29)26-23(30)19-3-2-18(12-20(19)24)28-6-8-33-9-7-28/h2-3,10-13,17H,4-9,14H2,1H3,(H,25,27)(H,26,30)/t17-/m1/s1
InChIKeySGYJOXWQLRDMNP-QGZVFWFLSA-N
MW487.56 g/mol
LogP2.04
Rot. Bonds5

About 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide

2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide (PubChem CID 175971349) has the molecular formula C23H26FN5O4S and a molecular weight of 487.56 g/mol. Its IUPAC name is 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide
PubChem CID175971349
Molecular FormulaC23H26FN5O4S
Molecular Weight487.56 g/mol
Exact Mass487.17
IUPAC Name2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide
SMILESCc1cc(S(=O)(=O)N2CC[C@@H](NC(=O)c3ccc(N4CCOCC4)cc3F)C2)c2[nH]ncc2c1
InChIInChI=1S/C23H26FN5O4S/c1-15-10-16-13-25-27-22(16)21(11-15)34(31,32)29-5-4-17(14-29)26-23(30)19-3-2-18(12-20(19)24)28-6-8-33-9-7-28/h2-3,10-13,17H,4-9,14H2,1H3,(H,25,27)(H,26,30)/t17-/m1/s1
InChIKeySGYJOXWQLRDMNP-QGZVFWFLSA-N
XLogP2.04
TPSA107.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1H-indazol-6-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 2345132
N-(1H-indazol-6-yl)-4-(morpholinosulfonyl)benzamide
CID 2377036
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]-1H-indazole-5-carboxamide
CID 66610384
2-[[5-(difluoromethyl)-1H-indazol-7-yl]sulfonyl-methyl-amino]-N-(3-methyl-4-morpholino-phenyl)acetamide
CID 171395416
N-(3-fluoro-4-morpholino-phenyl)-2-[methyl-[(5-methyl-2H-indazol-7-yl)sulfonyl]amino]acetamide
CID 171395441
3-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-N-(2-morpholin-4-ylethyl)-1H-pyrazole-5-carboxamide
CID 68201741
N-[3-(4-fluorophenyl)-3-morpholin-4-ylpropyl]-1H-indazole-5-carboxamide
CID 145725421
3-fluoro-N-methoxy-N-methyl-7-[methyl-[2-[(1-methyl-2-oxo-4-pyridinyl)amino]-2-oxoethyl]sulfamoyl]-2H-indazole-5-carboxamide
CID 164573859
2-[(3-fluoro-5-formyl-2H-indazol-7-yl)sulfonyl-methylamino]-N-(1-methyl-2-oxo-4-pyridinyl)acetamide
CID 167168311
7-fluoro-N-[2-(methylamino)ethyl]-3-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-1H-indazole-5-carboxamide
CID 171830440
5-(2-fluorophenyl)-3-methyl-N-(2-morpholin-4-ylethyl)-1,8-dihydropyrazolo[3,4-i][1,4]benzodiazepine-7-carboxamide
CID 173218884
US20240132480, Example 32
CID 164573674

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide?
The IUPAC name of 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide (CID 175971349) is 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide.
What is the SMILES notation for 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide?
The canonical SMILES for 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide is Cc1cc(S(=O)(=O)N2CC[C@@H](NC(=O)c3ccc(N4CCOCC4)cc3F)C2)c2[nH]ncc2c1.
What is the InChIKey of 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide?
The InChIKey is SGYJOXWQLRDMNP-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H26FN5O4S/c1-15-10-16-13-25-27-22(16)21(11-15)34(31,32)29-5-4-17(14-29)26-23(30)19-3-2-18(12-20(19)24)28-6-8-33-9-7-28/h2-3,10-13,17H,4-9,14H2,1H3,(H,25,27)(H,26,30)/t17-/m1/s1.
What are the key properties of 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide?
2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide has a molecular weight of 487.56 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(3R)-1-[(5-methyl-1H-indazol-7-yl)sulfonyl]pyrrolidin-3-yl]-4-morpholin-4-ylbenzamide is sourced from PubChem (CID 175971349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).