(3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

C25H34F3N5 — CID 138578408

IUPAC(3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCCCC(CCC)CN1C[C@H]2CC(Nc3ccc(-c4ccc(C(F)(F)F)nc4)nn3)C[C@H]2C1
InChIInChI=1S/C25H34F3N5/c1-3-5-17(6-4-2)14-33-15-19-11-21(12-20(19)16-33)30-24-10-8-22(31-32-24)18-7-9-23(29-13-18)25(26,27)28/h7-10,13,17,19-21H,3-6,11-12,14-16H2,1-2H3,(H,30,32)/t19-,20+,21?
InChIKeyBUPHEMQBIFJBCB-WCRBZPEASA-N
MW461.58 g/mol
LogP5.90
Rot. Bonds9

About (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine

(3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (PubChem CID 138578408) has the molecular formula C25H34F3N5 and a molecular weight of 461.58 g/mol. Its IUPAC name is (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine.

Molecular Properties

Compound Name(3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
PubChem CID138578408
Molecular FormulaC25H34F3N5
Molecular Weight461.58 g/mol
Exact Mass461.28
IUPAC Name(3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
SMILESCCCC(CCC)CN1C[C@H]2CC(Nc3ccc(-c4ccc(C(F)(F)F)nc4)nn3)C[C@H]2C1
InChIInChI=1S/C25H34F3N5/c1-3-5-17(6-4-2)14-33-15-19-11-21(12-20(19)16-33)30-24-10-8-22(31-32-24)18-7-9-23(29-13-18)25(26,27)28/h7-10,13,17,19-21H,3-6,11-12,14-16H2,1-2H3,(H,30,32)/t19-,20+,21?
InChIKeyBUPHEMQBIFJBCB-WCRBZPEASA-N
XLogP5.90
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]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

Frequently Asked Questions

What is the IUPAC name of (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The IUPAC name of (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine (CID 138578408) is (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]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-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The canonical SMILES for (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is CCCC(CCC)CN1C[C@H]2CC(Nc3ccc(-c4ccc(C(F)(F)F)nc4)nn3)C[C@H]2C1.
What is the InChIKey of (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
The InChIKey is BUPHEMQBIFJBCB-WCRBZPEASA-N. The full InChI is InChI=1S/C25H34F3N5/c1-3-5-17(6-4-2)14-33-15-19-11-21(12-20(19)16-33)30-24-10-8-22(31-32-24)18-7-9-23(29-13-18)25(26,27)28/h7-10,13,17,19-21H,3-6,11-12,14-16H2,1-2H3,(H,30,32)/t19-,20+,21?.
What are the key properties of (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine?
(3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine has a molecular weight of 461.58 g/mol, XLogP of 5.90, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,6aS)-2-(2-propylpentyl)-N-[6-[6-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine is sourced from PubChem (CID 138578408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).