3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide

C25H23ClFN3O3S — CID 134522509

IUPAC3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(-c4cccc(Cl)c4)nn(-c4ccc(F)cc4)c3c2)CCS(O)(O)C1
InChIInChI=1S/C25H23ClFN3O3S/c1-25(11-12-34(32,33)15-25)28-24(31)17-5-10-21-22(14-17)30(20-8-6-19(27)7-9-20)29-23(21)16-3-2-4-18(26)13-16/h2-10,13-14,32-33H,11-12,15H2,1H3,(H,28,31)
InChIKeyRXZVLDSYYVTMDE-UHFFFAOYSA-N
MW500.00 g/mol
LogP6.13
Rot. Bonds4

About 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide

3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522509) has the molecular formula C25H23ClFN3O3S and a molecular weight of 500.00 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522509
Molecular FormulaC25H23ClFN3O3S
Molecular Weight500.00 g/mol
Exact Mass499.11
IUPAC Name3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESCC1(NC(=O)c2ccc3c(-c4cccc(Cl)c4)nn(-c4ccc(F)cc4)c3c2)CCS(O)(O)C1
InChIInChI=1S/C25H23ClFN3O3S/c1-25(11-12-34(32,33)15-25)28-24(31)17-5-10-21-22(14-17)30(20-8-6-19(27)7-9-20)29-23(21)16-3-2-4-18(26)13-16/h2-10,13-14,32-33H,11-12,15H2,1H3,(H,28,31)
InChIKeyRXZVLDSYYVTMDE-UHFFFAOYSA-N
XLogP6.13
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.00
LogP ≤ 56.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522483
3-[2-chloro-5-(trifluoromethyl)phenyl]-1-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)indazole-6-carboxamide
CID 134522084
3-(2-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(1,3-thiazol-4-yl)indazole-6-carboxamide
CID 134522099
3-(2-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(5-methyl-2-pyridinyl)indazole-6-carboxamide
CID 134522532
methyl 4-[3-(2-chlorophenyl)-6-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]indazol-1-yl]benzoate
CID 134522546
N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)-3-(4-methyl-2-pyridinyl)indole-6-carboxamide
CID 139465043
3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
CID 134522594
methyl 3-[3-(2-chlorophenyl)-6-[(3-methyl-1,1-dioxothiolan-3-yl)carbamoyl]indazol-1-yl]benzoate
CID 146230610
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(4-hydroxy-1,1-dioxothiolan-3-yl)indazole-6-carboxamide
CID 134522049
1-[1-(4-fluorophenyl)-3-(3-methylbenzotriazol-5-yl)indazol-6-yl]-2-(3-methyl-1,1-dioxothiolan-3-yl)ethanone
CID 161165161
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(oxetan-3-yl)indazole-6-carboxamide
CID 134522059
4-chloro-3-[1-(4-fluorophenyl)-6-[2-(3-methyl-1,1-dioxothiolan-3-yl)acetyl]indazol-3-yl]benzamide
CID 159628974

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522509) is 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide is CC1(NC(=O)c2ccc3c(-c4cccc(Cl)c4)nn(-c4ccc(F)cc4)c3c2)CCS(O)(O)C1.
What is the InChIKey of 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is RXZVLDSYYVTMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClFN3O3S/c1-25(11-12-34(32,33)15-25)28-24(31)17-5-10-21-22(14-17)30(20-8-6-19(27)7-9-20)29-23(21)16-3-2-4-18(26)13-16/h2-10,13-14,32-33H,11-12,15H2,1H3,(H,28,31).
What are the key properties of 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 500.00 g/mol, XLogP of 6.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-(1,1-dihydroxy-3-methylthiolan-3-yl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).