5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

C22H26F3N5O — CID 134280998

IUPAC5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn(C3C4CC(N5CCOCC5)CC43)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)17-7-13(10-27-20(17)26)18-11-30(21(28-18)12-1-2-12)19-15-8-14(9-16(15)19)29-3-5-31-6-4-29/h7,10-12,14-16,19H,1-6,8-9H2,(H2,26,27)
InChIKeyBUKIRWQAGCMYCQ-UHFFFAOYSA-N
MW433.48 g/mol
LogP3.71
Rot. Bonds4

About 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine

5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 134280998) has the molecular formula C22H26F3N5O and a molecular weight of 433.48 g/mol. Its IUPAC name is 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID134280998
Molecular FormulaC22H26F3N5O
Molecular Weight433.48 g/mol
Exact Mass433.21
IUPAC Name5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
SMILESNc1ncc(-c2cn(C3C4CC(N5CCOCC5)CC43)c(C3CC3)n2)cc1C(F)(F)F
InChIInChI=1S/C22H26F3N5O/c23-22(24,25)17-7-13(10-27-20(17)26)18-11-30(21(28-18)12-1-2-12)19-15-8-14(9-16(15)19)29-3-5-31-6-4-29/h7,10-12,14-16,19H,1-6,8-9H2,(H2,26,27)
InChIKeyBUKIRWQAGCMYCQ-UHFFFAOYSA-N
XLogP3.71
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(1,2-dicyclopropylimidazol-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 134280965
5-[1-(4-morpholin-4-ylcyclohexyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134299194
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 140846861
5-[2-cyclopropyl-1-[(5S)-2-(2,2,2-trifluoroethyl)-2-azabicyclo[2.1.1]hexan-5-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 142298677
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
5-[1-(2,2-difluoroethyl)-5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 118161605
5-[2-cyclopropyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
CID 134295113
5-[1-(3-fluorocyclobutyl)-2-propan-2-ylimidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280986
5-[5-[3-(3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123161553
5-[5-methyl-5-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)-1-propan-2-yl-4H-pyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 123286068
5-[5-[(5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hex-1(6)-enyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 154971528
5-[1-(cyclopropylmethyl)-2-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134280868

Frequently Asked Questions

What is the IUPAC name of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine (CID 134280998) is 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is Nc1ncc(-c2cn(C3C4CC(N5CCOCC5)CC43)c(C3CC3)n2)cc1C(F)(F)F.
What is the InChIKey of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BUKIRWQAGCMYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O/c23-22(24,25)17-7-13(10-27-20(17)26)18-11-30(21(28-18)12-1-2-12)19-15-8-14(9-16(15)19)29-3-5-31-6-4-29/h7,10-12,14-16,19H,1-6,8-9H2,(H2,26,27).
What are the key properties of 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine?
5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 433.48 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-cyclopropyl-1-(3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl)imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 134280998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).