5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C25H34F4N6 — CID 134295221

IUPAC5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1[C@H]2CC(N3CCN(CCF)CC3)C[C@@H]12
InChIInChI=1S/C25H34F4N6/c1-15(2)9-22-32-21(16-10-20(25(27,28)29)24(30)31-13-16)14-35(22)23-18-11-17(12-19(18)23)34-7-5-33(4-3-26)6-8-34/h10,13-15,17-19,23H,3-9,11-12H2,1-2H3,(H2,30,31)/t17?,18-,19+,23?
InChIKeyZLCWDMNYMZFLHW-LGKGDEPPSA-N
MW494.58 g/mol
LogP4.28
Rot. Bonds7

About 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134295221) has the molecular formula C25H34F4N6 and a molecular weight of 494.58 g/mol. Its IUPAC name is 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134295221
Molecular FormulaC25H34F4N6
Molecular Weight494.58 g/mol
Exact Mass494.28
IUPAC Name5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCC(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1[C@H]2CC(N3CCN(CCF)CC3)C[C@@H]12
InChIInChI=1S/C25H34F4N6/c1-15(2)9-22-32-21(16-10-20(25(27,28)29)24(30)31-13-16)14-35(22)23-18-11-17(12-19(18)23)34-7-5-33(4-3-26)6-8-34/h10,13-15,17-19,23H,3-9,11-12H2,1-2H3,(H2,30,31)/t17?,18-,19+,23?
InChIKeyZLCWDMNYMZFLHW-LGKGDEPPSA-N
XLogP4.28
TPSA63.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.58
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134295221) is 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is CC(C)Cc1nc(-c2cnc(N)c(C(F)(F)F)c2)cn1C1[C@H]2CC(N3CCN(CCF)CC3)C[C@@H]12.
What is the InChIKey of 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ZLCWDMNYMZFLHW-LGKGDEPPSA-N. The full InChI is InChI=1S/C25H34F4N6/c1-15(2)9-22-32-21(16-10-20(25(27,28)29)24(30)31-13-16)14-35(22)23-18-11-17(12-19(18)23)34-7-5-33(4-3-26)6-8-34/h10,13-15,17-19,23H,3-9,11-12H2,1-2H3,(H2,30,31)/t17?,18-,19+,23?.
What are the key properties of 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 494.58 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S,5R)-3-[4-(2-fluoroethyl)piperazin-1-yl]-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134295221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).