5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

C23H26F3N5O2 — CID 134316039

IUPAC5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC1COCCN1C1C=C2[C@@H](C1)[C@@H]2n1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1
InChIInChI=1S/C23H26F3N5O2/c1-12-11-32-5-4-30(12)15-7-16-17(8-15)20(16)31-10-18(29-22(31)13-2-3-13)14-6-19(21(27)28-9-14)33-23(24,25)26/h6-7,9-10,12-13,15,17,20H,2-5,8,11H2,1H3,(H2,27,28)/t12?,15?,17-,20-/m1/s1
InChIKeyMZWAMXIFGXKONP-NXBQGNHZSA-N
MW461.49 g/mol
LogP3.89
Rot. Bonds5

About 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine

5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (PubChem CID 134316039) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
PubChem CID134316039
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC Name5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
SMILESCC1COCCN1C1C=C2[C@@H](C1)[C@@H]2n1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1
InChIInChI=1S/C23H26F3N5O2/c1-12-11-32-5-4-30(12)15-7-16-17(8-15)20(16)31-10-18(29-22(31)13-2-3-13)14-6-19(21(27)28-9-14)33-23(24,25)26/h6-7,9-10,12-13,15,17,20H,2-5,8,11H2,1H3,(H2,27,28)/t12?,15?,17-,20-/m1/s1
InChIKeyMZWAMXIFGXKONP-NXBQGNHZSA-N
XLogP3.89
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine (CID 134316039) is 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is CC1COCCN1C1C=C2[C@@H](C1)[C@@H]2n1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc1C1CC1.
What is the InChIKey of 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
The InChIKey is MZWAMXIFGXKONP-NXBQGNHZSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-12-11-32-5-4-30(12)15-7-16-17(8-15)20(16)31-10-18(29-22(31)13-2-3-13)14-6-19(21(27)28-9-14)33-23(24,25)26/h6-7,9-10,12-13,15,17,20H,2-5,8,11H2,1H3,(H2,27,28)/t12?,15?,17-,20-/m1/s1.
What are the key properties of 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine?
5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine has a molecular weight of 461.49 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-1-[(5R,6S)-3-(3-methylmorpholin-4-yl)-6-bicyclo[3.1.0]hex-1-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 134316039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).