N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide

C24H30N8O3S — CID 168679194

IUPACN-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide
SMILESCC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4cnn(C)c4)nn(C)c23)CC1
InChIInChI=1S/C24H30N8O3S/c1-16(2)23(33)32-9-7-31(8-10-32)20-12-18(36(34,35)28-24(15-25)5-6-24)11-19-21(27-30(4)22(19)20)17-13-26-29(3)14-17/h11-14,16,28H,5-10H2,1-4H3
InChIKeyOZODAEGVKDQKGJ-UHFFFAOYSA-N
MW510.62 g/mol
LogP1.61
Rot. Bonds6

About N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide

N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide (PubChem CID 168679194) has the molecular formula C24H30N8O3S and a molecular weight of 510.62 g/mol. Its IUPAC name is N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide
PubChem CID168679194
Molecular FormulaC24H30N8O3S
Molecular Weight510.62 g/mol
Exact Mass510.22
IUPAC NameN-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide
SMILESCC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4cnn(C)c4)nn(C)c23)CC1
InChIInChI=1S/C24H30N8O3S/c1-16(2)23(33)32-9-7-31(8-10-32)20-12-18(36(34,35)28-24(15-25)5-6-24)11-19-21(27-30(4)22(19)20)17-13-26-29(3)14-17/h11-14,16,28H,5-10H2,1-4H3
InChIKeyOZODAEGVKDQKGJ-UHFFFAOYSA-N
XLogP1.61
TPSA129.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.62
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[5-[(2,4-difluorophenyl)sulfamoyl]-1-[2-(4-fluorophenyl)ethyl]indazol-7-yl]acetamide
CID 122179030
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679140
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679151
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
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-propan-2-ylindazole-5-sulfonamide
CID 168679150
1-cyclopropyl-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679155
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679156
3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-N-(1-methylcyclopropyl)-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
CID 168679157
N-(1-cyanocyclopropyl)-7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methylindazole-5-sulfonamide
CID 168679158
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-ethyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]indazole-5-sulfonamide
CID 168679160
7-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-1-methyl-N-(1-methylcyclopropyl)indazole-5-sulfonamide
CID 168679161
N-(1-cyanocyclopropyl)-3-[5-(difluoromethyl)-1,3,4-thiadiazol-2-yl]-7-[4-(2-methylpropanoyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)indazole-5-sulfonamide
CID 168679164

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide?
The IUPAC name of N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide (CID 168679194) is N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide.
What is the SMILES notation for N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide?
The canonical SMILES for N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide is CC(C)C(=O)N1CCN(c2cc(S(=O)(=O)NC3(C#N)CC3)cc3c(-c4cnn(C)c4)nn(C)c23)CC1.
What is the InChIKey of N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide?
The InChIKey is OZODAEGVKDQKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8O3S/c1-16(2)23(33)32-9-7-31(8-10-32)20-12-18(36(34,35)28-24(15-25)5-6-24)11-19-21(27-30(4)22(19)20)17-13-26-29(3)14-17/h11-14,16,28H,5-10H2,1-4H3.
What are the key properties of N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide?
N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide has a molecular weight of 510.62 g/mol, XLogP of 1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopropyl)-1-methyl-7-[4-(2-methylpropanoyl)piperazin-1-yl]-3-(1-methylpyrazol-4-yl)indazole-5-sulfonamide is sourced from PubChem (CID 168679194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).