(3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C26H34N6O — CID 171600829

IUPAC(3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILES[2H]C([2H])([C@@H]1CCCCO1)N1C[C@H]2CC(Nc3ccc(-c4ccc5nn(C)cc5c4C)nn3)C[C@H]2C1
InChIInChI=1S/C26H34N6O/c1-17-22(6-7-25-23(17)16-31(2)30-25)24-8-9-26(29-28-24)27-20-11-18-13-32(14-19(18)12-20)15-21-5-3-4-10-33-21/h6-9,16,18-21H,3-5,10-15H2,1-2H3,(H,27,29)/t18-,19+,20?,21-/m0/s1/i15D2
InChIKeyKWHFYGHPOMKGGA-QCNJRALDSA-N
MW448.61 g/mol
LogP4.03
Rot. Bonds5

About (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 171600829) has the molecular formula C26H34N6O and a molecular weight of 448.61 g/mol. Its IUPAC name is (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID171600829
Molecular FormulaC26H34N6O
Molecular Weight448.61 g/mol
Exact Mass448.29
IUPAC Name(3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILES[2H]C([2H])([C@@H]1CCCCO1)N1C[C@H]2CC(Nc3ccc(-c4ccc5nn(C)cc5c4C)nn3)C[C@H]2C1
InChIInChI=1S/C26H34N6O/c1-17-22(6-7-25-23(17)16-31(2)30-25)24-8-9-26(29-28-24)27-20-11-18-13-32(14-19(18)12-20)15-21-5-3-4-10-33-21/h6-9,16,18-21H,3-5,10-15H2,1-2H3,(H,27,29)/t18-,19+,20?,21-/m0/s1/i15D2
InChIKeyKWHFYGHPOMKGGA-QCNJRALDSA-N
XLogP4.03
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine 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

(3aR,6aS)-2-[dideuterio-(2,2-dimethyloxan-4-yl)methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 171600835
3-[6-[[(3aS,6aR)-2-[dideuterio-[(2R)-oxan-2-yl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-5-fluoro-N-methylbenzamide
CID 175791483
(3aR,6aS)-2-[dideuterio(oxan-4-yl)methyl]-N-[6-[4-(difluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175998588
2-[6-[[(3aS,6aR)-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-4-fluorobenzonitrile
CID 142563557
(3aR,6aS)-2-[dideuterio(oxan-4-yl)methyl]-N-[6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175998619
(3aS,6aR)-2-[dideuterio(oxepan-4-yl)methyl]-N-[6-[2-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175998621
(3aR,6aS)-N-[6-(5-fluoro-2-methoxyphenyl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 138578406
4-[6-[[(3aS)-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl]amino]pyridazin-3-yl]-3-fluorobenzamide
CID 165403968
2-[dideuterio-[(4S)-2,2-dimethyloxan-4-yl]methyl]-N-[6-[2-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 169222023
N-[6-(4-methoxyphenyl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 162451720
(3aR,6aS)-2-[dideuterio(oxan-4-yl)methyl]-N-(4-methyl-6-phenylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 175884206
(3aS,6aS)-N-[4-methoxy-6-(2-methylindazol-5-yl)pyridazin-3-yl]-2-(oxan-4-ylmethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 167431504

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 171600829) is (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.
What is the SMILES notation for (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is [2H]C([2H])([C@@H]1CCCCO1)N1C[C@H]2CC(Nc3ccc(-c4ccc5nn(C)cc5c4C)nn3)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is KWHFYGHPOMKGGA-QCNJRALDSA-N. The full InChI is InChI=1S/C26H34N6O/c1-17-22(6-7-25-23(17)16-31(2)30-25)24-8-9-26(29-28-24)27-20-11-18-13-32(14-19(18)12-20)15-21-5-3-4-10-33-21/h6-9,16,18-21H,3-5,10-15H2,1-2H3,(H,27,29)/t18-,19+,20?,21-/m0/s1/i15D2.
What are the key properties of (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 448.61 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-[dideuterio-[(2S)-oxan-2-yl]methyl]-N-[6-(2,4-dimethylindazol-5-yl)pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 171600829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).