5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane

C22H29F2N5O2 — CID 142298581

IUPAC5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1CC(N2CC3C[C@@H]3C2)CCO1.Nc1ncc(-c2cnc(C3CC3)[nH]2)cc1OC(F)F
InChIInChI=1S/C12H12F2N4O.C10H17NO/c13-12(14)19-9-3-7(4-16-10(9)15)8-5-17-11(18-8)6-1-2-6;1-3-12-4-2-10(1)11-6-8-5-9(8)7-11/h3-6,12H,1-2H2,(H2,15,16)(H,17,18);8-10H,1-7H2/t;8-,9?/m.1/s1
InChIKeyLXHZMUCOERUBAQ-DEIFBBLNSA-N
MW433.50 g/mol
LogP3.65
Rot. Bonds5

About 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane

5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane (PubChem CID 142298581) has the molecular formula C22H29F2N5O2 and a molecular weight of 433.50 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
PubChem CID142298581
Molecular FormulaC22H29F2N5O2
Molecular Weight433.50 g/mol
Exact Mass433.23
IUPAC Name5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
SMILESC1CC(N2CC3C[C@@H]3C2)CCO1.Nc1ncc(-c2cnc(C3CC3)[nH]2)cc1OC(F)F
InChIInChI=1S/C12H12F2N4O.C10H17NO/c13-12(14)19-9-3-7(4-16-10(9)15)8-5-17-11(18-8)6-1-2-6;1-3-12-4-2-10(1)11-6-8-5-9(8)7-11/h3-6,12H,1-2H2,(H2,15,16)(H,17,18);8-10H,1-7H2/t;8-,9?/m.1/s1
InChIKeyLXHZMUCOERUBAQ-DEIFBBLNSA-N
XLogP3.65
TPSA89.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.50
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-cyclobutyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine
CID 142298661
5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;3-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 142298556
5-(2-cyclopropyl-1H-imidazol-5-yl)-3-methylpyridin-2-amine
CID 142298664
3-(difluoromethoxy)-5-[2-ethyl-6-[3-(oxolan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]pyrimidin-4-yl]pyridin-2-amine
CID 123236688
5-[2-cyclopropyl-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123252960
3-(difluoromethoxy)-5-[2-[(3S,4S)-3-fluoro-4-methylpyrrolidin-1-yl]-6-(3-morpholin-4-ylcyclopentyl)pyrimidin-4-yl]pyridin-2-amine
CID 144739937
5-[2-(3-azabicyclo[3.1.0]hexan-3-yl)-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 123912970
3-(difluoromethoxy)-5-[2-[(3R)-3-fluorocyclopentyl]-6-(1,4-oxazepan-4-yl)pyrimidin-4-yl]pyridin-2-amine
CID 127037511
3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane
CID 142298599
3-(difluoromethoxy)-5-[2-(3-fluorocyclobutyl)-6-[(1S,4S)-2-oxa-5-azabicyclo[2.2.2]octan-5-yl]pyrimidin-4-yl]pyridin-2-amine
CID 135188743
5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 134280853
3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(6-fluoro-1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 118161740

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane (CID 142298581) is 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane is C1CC(N2CC3C[C@@H]3C2)CCO1.Nc1ncc(-c2cnc(C3CC3)[nH]2)cc1OC(F)F.
What is the InChIKey of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
The InChIKey is LXHZMUCOERUBAQ-DEIFBBLNSA-N. The full InChI is InChI=1S/C12H12F2N4O.C10H17NO/c13-12(14)19-9-3-7(4-16-10(9)15)8-5-17-11(18-8)6-1-2-6;1-3-12-4-2-10(1)11-6-8-5-9(8)7-11/h3-6,12H,1-2H2,(H2,15,16)(H,17,18);8-10H,1-7H2/t;8-,9?/m.1/s1.
What are the key properties of 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane?
5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane has a molecular weight of 433.50 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1H-imidazol-5-yl)-3-(difluoromethoxy)pyridin-2-amine;(5S)-3-(oxan-4-yl)-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 142298581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).