4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide

C24H28F3N7O4S2 — CID 169031982

IUPAC4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide
SMILESO=C(C1CCCC1)N1CCN(c2cc(S(=O)(=O)NC3(CF)COC3)cc3c2cnn3-c2nnc(C(F)F)s2)CC1
InChIInChI=1S/C24H28F3N7O4S2/c25-12-24(13-38-14-24)31-40(36,37)16-9-18(32-5-7-33(8-6-32)22(35)15-3-1-2-4-15)17-11-28-34(19(17)10-16)23-30-29-21(39-23)20(26)27/h9-11,15,20,31H,1-8,12-14H2
InChIKeyONXFJVDIDOSMPV-UHFFFAOYSA-N
MW599.66 g/mol
LogP2.67
Rot. Bonds8

About 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide

4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide (PubChem CID 169031982) has the molecular formula C24H28F3N7O4S2 and a molecular weight of 599.66 g/mol. Its IUPAC name is 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide.

Molecular Properties

Compound Name4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide
PubChem CID169031982
Molecular FormulaC24H28F3N7O4S2
Molecular Weight599.66 g/mol
Exact Mass599.16
IUPAC Name4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide
SMILESO=C(C1CCCC1)N1CCN(c2cc(S(=O)(=O)NC3(CF)COC3)cc3c2cnn3-c2nnc(C(F)F)s2)CC1
InChIInChI=1S/C24H28F3N7O4S2/c25-12-24(13-38-14-24)31-40(36,37)16-9-18(32-5-7-33(8-6-32)22(35)15-3-1-2-4-15)17-11-28-34(19(17)10-16)23-30-29-21(39-23)20(26)27/h9-11,15,20,31H,1-8,12-14H2
InChIKeyONXFJVDIDOSMPV-UHFFFAOYSA-N
XLogP2.67
TPSA122.55 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500599.66
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide?
The IUPAC name of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide (CID 169031982) is 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide.
What is the SMILES notation for 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide?
The canonical SMILES for 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide is O=C(C1CCCC1)N1CCN(c2cc(S(=O)(=O)NC3(CF)COC3)cc3c2cnn3-c2nnc(C(F)F)s2)CC1.
What is the InChIKey of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide?
The InChIKey is ONXFJVDIDOSMPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O4S2/c25-12-24(13-38-14-24)31-40(36,37)16-9-18(32-5-7-33(8-6-32)22(35)15-3-1-2-4-15)17-11-28-34(19(17)10-16)23-30-29-21(39-23)20(26)27/h9-11,15,20,31H,1-8,12-14H2.
What are the key properties of 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide?
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide has a molecular weight of 599.66 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-[3-(fluoromethyl)oxetan-3-yl]indazole-6-sulfonamide is sourced from PubChem (CID 169031982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).