tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

C23H34N6O2 — CID 150207734

IUPACtert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
SMILESCc1cnn(C)c1-c1ccc(NCCC2CCC3CN(C(=O)OC(C)(C)C)CC23)nn1
InChIInChI=1S/C23H34N6O2/c1-15-12-25-28(5)21(15)19-8-9-20(27-26-19)24-11-10-16-6-7-17-13-29(14-18(16)17)22(30)31-23(2,3)4/h8-9,12,16-18H,6-7,10-11,13-14H2,1-5H3,(H,24,27)
InChIKeyFQVFDEGFPAXULQ-UHFFFAOYSA-N
MW426.57 g/mol
LogP3.88
Rot. Bonds5

About tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (PubChem CID 150207734) has the molecular formula C23H34N6O2 and a molecular weight of 426.57 g/mol. Its IUPAC name is tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
PubChem CID150207734
Molecular FormulaC23H34N6O2
Molecular Weight426.57 g/mol
Exact Mass426.27
IUPAC Nametert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
SMILESCc1cnn(C)c1-c1ccc(NCCC2CCC3CN(C(=O)OC(C)(C)C)CC23)nn1
InChIInChI=1S/C23H34N6O2/c1-15-12-25-28(5)21(15)19-8-9-20(27-26-19)24-11-10-16-6-7-17-13-29(14-18(16)17)22(30)31-23(2,3)4/h8-9,12,16-18H,6-7,10-11,13-14H2,1-5H3,(H,24,27)
InChIKeyFQVFDEGFPAXULQ-UHFFFAOYSA-N
XLogP3.88
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.57
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate 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

tert-butyl 4-[[(6-chloropyridazin-3-yl)amino]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 142582601
6-(1,4-dimethylpyrazol-5-yl)-N-[2-[2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]ethyl]pyridazin-3-amine
CID 138578699
N-[[(3aR)-2-(2,3,3-trimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 156511293
tert-butyl (3aS,4R,6aR)-4-[(6-bromo-2-pyridinyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 89285234
tert-butyl 5-[(1,5-dimethylpyrazol-4-yl)amino]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 126819316
tert-butyl 4-(aminomethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
CID 82380907
tert-butyl 4-[2-(2,4-dichlorophenyl)-2-oxoethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 158684764
N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 142611631
tert-butyl (2S,6R)-10-methyl-8-oxo-1,4,7,12-tetrazatricyclo[7.3.0.02,6]dodeca-9,11-diene-4-carboxylate
CID 177169278
(3aR,6aS)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578957
6-(4,4-dimethylpentan-2-yl)-N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-6-azaspiro[2.5]octane-2-carboxamide
CID 152675294
tert-butyl (3aR,6aS)-5-[[6-(4-acetamidophenyl)pyridazin-3-yl]amino]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
CID 156511275

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The IUPAC name of tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CID 150207734) is tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The canonical SMILES for tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate is Cc1cnn(C)c1-c1ccc(NCCC2CCC3CN(C(=O)OC(C)(C)C)CC23)nn1.
What is the InChIKey of tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The InChIKey is FQVFDEGFPAXULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O2/c1-15-12-25-28(5)21(15)19-8-9-20(27-26-19)24-11-10-16-6-7-17-13-29(14-18(16)17)22(30)31-23(2,3)4/h8-9,12,16-18H,6-7,10-11,13-14H2,1-5H3,(H,24,27).
What are the key properties of tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate has a molecular weight of 426.57 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]amino]ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate is sourced from PubChem (CID 150207734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).