4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol

C30H33ClN6OS — CID 73053269

IUPAC4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
SMILESCC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cccnc3)s1)c1c(O)ccc(Cl)c12
InChIInChI=1S/C30H33ClN6OS/c1-29(2,3)18-36-15-12-30(13-16-36)19-37(26-24(38)11-10-21(31)25(26)30)23-9-5-4-8-22(23)33-28-35-34-27(39-28)20-7-6-14-32-17-20/h4-11,14,17,38H,12-13,15-16,18-19H2,1-3H3,(H,33,35)
InChIKeyIAFPMODBTPMWBF-UHFFFAOYSA-N
MW561.16 g/mol
LogP7.23
Rot. Bonds5

About 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol

4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol (PubChem CID 73053269) has the molecular formula C30H33ClN6OS and a molecular weight of 561.16 g/mol. Its IUPAC name is 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol.

Molecular Properties

Compound Name4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
PubChem CID73053269
Molecular FormulaC30H33ClN6OS
Molecular Weight561.16 g/mol
Exact Mass560.21
IUPAC Name4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol
SMILESCC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cccnc3)s1)c1c(O)ccc(Cl)c12
InChIInChI=1S/C30H33ClN6OS/c1-29(2,3)18-36-15-12-30(13-16-36)19-37(26-24(38)11-10-21(31)25(26)30)23-9-5-4-8-22(23)33-28-35-34-27(39-28)20-7-6-14-32-17-20/h4-11,14,17,38H,12-13,15-16,18-19H2,1-3H3,(H,33,35)
InChIKeyIAFPMODBTPMWBF-UHFFFAOYSA-N
XLogP7.23
TPSA77.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.16
LogP ≤ 57.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-1-[2-[[5-(3,5-dichlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine]-7-ol
CID 73051231
1-[2-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]amino]phenyl]-1'-(2,2-dimethylpropyl)-4-fluorospiro[2H-indole-3,4'-piperidine]-7-ol
CID 73051702
methyl 5-[2-[1'-[3-[3-[[5-(3-tert-butyl-1-methylpyrazol-5-yl)-1,3,4-thiadiazol-2-yl]amino]-4-[4-chloro-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-2,2-dimethylpropyl]-4-chloro-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]anilino]-1,3,4-thiadiazole-2-carboxylate
CID 144565710
1-[2-[4-(6-chloro-1,3-benzothiazol-2-yl)-1'-(2,2-dimethylpropyl)-7-hydroxyspiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 136992605
1-(4-tert-butylphenyl)-3-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]urea;1-[2-[1'-(2,2-dimethylpropyl)-7-hydroxy-4-(trifluoromethyl)spiro[2H-indole-3,4'-piperidine]-1-yl]-3-pyridinyl]-3-[4-(trifluoromethoxy)phenyl]urea;ethane
CID 144565838
1-[2-[7-hydroxy-4-methyl-1'-(2-methylpropyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-methylurea
CID 118149992
N-(3-chloro-4-fluorophenyl)-5-pyridin-3-yl-1,3,4-thiadiazol-2-amine
CID 1258107
4-chloro-3-[[1-(4-methylpiperazin-1-yl)cyclopropanecarbonyl]amino]-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 118385687
N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 845637
4-chloro-N-(2-morpholin-4-ylphenyl)-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 71111886
4-chloro-N-(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 66634960
1-tert-butyl-1'-(2,2-dimethylpropyl)spiro[2H-indole-3,4'-piperidine];1-tert-butylspiro[2,3-dihydroquinoline-4,3'-oxolane];1-tert-butylspiro[2H-indole-3,2'-oxolane]
CID 157057162

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol?
The IUPAC name of 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol (CID 73053269) is 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol.
What is the SMILES notation for 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol?
The canonical SMILES for 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol is CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nnc(-c3cccnc3)s1)c1c(O)ccc(Cl)c12.
What is the InChIKey of 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol?
The InChIKey is IAFPMODBTPMWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33ClN6OS/c1-29(2,3)18-36-15-12-30(13-16-36)19-37(26-24(38)11-10-21(31)25(26)30)23-9-5-4-8-22(23)33-28-35-34-27(39-28)20-7-6-14-32-17-20/h4-11,14,17,38H,12-13,15-16,18-19H2,1-3H3,(H,33,35).
What are the key properties of 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol?
4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol has a molecular weight of 561.16 g/mol, XLogP of 7.23, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1'-(2,2-dimethylpropyl)-1-[2-[(5-pyridin-3-yl-1,3,4-thiadiazol-2-yl)amino]phenyl]spiro[2H-indole-3,4'-piperidine]-7-ol is sourced from PubChem (CID 73053269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).