1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide

C26H33F2N7O3S2 — CID 168679149

IUPAC1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
SMILESCC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC4CC4)c23)CC1
InChIInChI=1S/C26H33F2N7O3S2/c1-15(2)25(36)34-10-8-33(9-11-34)19-13-17(40(37,38)32-26(3)6-7-26)12-18-20(23-29-30-24(39-23)22(27)28)31-35(21(18)19)14-16-4-5-16/h12-13,15-16,22,32H,4-11,14H2,1-3H3
InChIKeyKJUURLJOKZHAAU-UHFFFAOYSA-N
MW593.73 g/mol
LogP4.04
Rot. Bonds9

About 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide

1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide (PubChem CID 168679149) has the molecular formula C26H33F2N7O3S2 and a molecular weight of 593.73 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
PubChem CID168679149
Molecular FormulaC26H33F2N7O3S2
Molecular Weight593.73 g/mol
Exact Mass593.21
IUPAC Name1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
SMILESCC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC4CC4)c23)CC1
InChIInChI=1S/C26H33F2N7O3S2/c1-15(2)25(36)34-10-8-33(9-11-34)19-13-17(40(37,38)32-26(3)6-7-26)12-18-20(23-29-30-24(39-23)22(27)28)31-35(21(18)19)14-16-4-5-16/h12-13,15-16,22,32H,4-11,14H2,1-3H3
InChIKeyKJUURLJOKZHAAU-UHFFFAOYSA-N
XLogP4.04
TPSA113.32 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500593.73
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide?
The IUPAC name of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide (CID 168679149) is 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide is CC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C)CC3)cc3c(-c4nnc(C(F)F)s4)nn(CC4CC4)c23)CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide?
The InChIKey is KJUURLJOKZHAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33F2N7O3S2/c1-15(2)25(36)34-10-8-33(9-11-34)19-13-17(40(37,38)32-26(3)6-7-26)12-18-20(23-29-30-24(39-23)22(27)28)31-35(21(18)19)14-16-4-5-16/h12-13,15-16,22,32H,4-11,14H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide?
1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide has a molecular weight of 593.73 g/mol, XLogP of 4.04, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide is sourced from PubChem (CID 168679149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).