N-[[(3aS,6aR)-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

C24H38N6 — CID 138578262

IUPACN-[[(3aS,6aR)-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
SMILESCc1cnn(C)c1-c1ccc(NCC2C[C@@H]3CN(CC(C)C(C)(C)C)C[C@@H]3C2)nn1
InChIInChI=1S/C24H38N6/c1-16-11-26-29(6)23(16)21-7-8-22(28-27-21)25-12-18-9-19-14-30(15-20(19)10-18)13-17(2)24(3,4)5/h7-8,11,17-20H,9-10,12-15H2,1-6H3,(H,25,28)/t17?,18?,19-,20+
InChIKeySBCZVQNAVJVAQJ-KHSMEXAKSA-N
MW410.61 g/mol
LogP4.24
Rot. Bonds6

About N-[[(3aS,6aR)-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

N-[[(3aS,6aR)-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 (PubChem CID 138578262) has the molecular formula C24H38N6 and a molecular weight of 410.61 g/mol. Its IUPAC name is N-[[(3aS,6aR)-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.

Molecular Properties

Compound NameN-[[(3aS,6aR)-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
PubChem CID138578262
Molecular FormulaC24H38N6
Molecular Weight410.61 g/mol
Exact Mass410.32
IUPAC NameN-[[(3aS,6aR)-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
SMILESCc1cnn(C)c1-c1ccc(NCC2C[C@@H]3CN(CC(C)C(C)(C)C)C[C@@H]3C2)nn1
InChIInChI=1S/C24H38N6/c1-16-11-26-29(6)23(16)21-7-8-22(28-27-21)25-12-18-9-19-14-30(15-20(19)10-18)13-17(2)24(3,4)5/h7-8,11,17-20H,9-10,12-15H2,1-6H3,(H,25,28)/t17?,18?,19-,20+
InChIKeySBCZVQNAVJVAQJ-KHSMEXAKSA-N
XLogP4.24
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.61
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(3aS,6aR)-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 with MolForge

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Related Compounds

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
N-[[2-(3,3-dimethylbutyl)-2-azaspiro[3.3]heptan-6-yl]methyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 142611631
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
(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
N-[2-[2-(3,3-dimethylbutyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]ethyl]-6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-amine
CID 142582623
5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-[(4-fluorophenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 138578464
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
(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-2-(oxan-3-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 142563548
(3aR,6aS)-5-[[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]oxymethyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;dihydrochloride
CID 154639894
N-[6-(1,4-dimethylpyrazol-5-yl)pyridazin-3-yl]-7-(oxan-4-ylmethyl)-7-azaspiro[3.5]nonan-2-amine
CID 138562182
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
3-[[(6-methylpyridazin-3-yl)amino]methyl]cyclobutan-1-ol
CID 66005697

Frequently Asked Questions

What is the IUPAC name of N-[[(3aS,6aR)-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?
The IUPAC name of N-[[(3aS,6aR)-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 138578262) is N-[[(3aS,6aR)-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.
What is the SMILES notation for N-[[(3aS,6aR)-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?
The canonical SMILES for N-[[(3aS,6aR)-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 is Cc1cnn(C)c1-c1ccc(NCC2C[C@@H]3CN(CC(C)C(C)(C)C)C[C@@H]3C2)nn1.
What is the InChIKey of N-[[(3aS,6aR)-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?
The InChIKey is SBCZVQNAVJVAQJ-KHSMEXAKSA-N. The full InChI is InChI=1S/C24H38N6/c1-16-11-26-29(6)23(16)21-7-8-22(28-27-21)25-12-18-9-19-14-30(15-20(19)10-18)13-17(2)24(3,4)5/h7-8,11,17-20H,9-10,12-15H2,1-6H3,(H,25,28)/t17?,18?,19-,20+.
What are the key properties of N-[[(3aS,6aR)-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?
N-[[(3aS,6aR)-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 has a molecular weight of 410.61 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3aS,6aR)-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 is sourced from PubChem (CID 138578262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).