5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine

C18H21F2N5O — CID 134281066

IUPAC5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cc1OC(F)F
InChIInChI=1S/C18H21F2N5O/c19-18(20)26-14-4-10(5-23-17(14)21)13-8-25(15(24-13)3-9-1-2-9)16-11-6-22-7-12(11)16/h4-5,8-9,11-12,16,18,22H,1-3,6-7H2,(H2,21,23)/t11-,12+,16?
InChIKeyJZMINDJLKWDOKR-HBBFGDNQSA-N
MW361.40 g/mol
LogP2.47
Rot. Bonds6

About 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine

5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine (PubChem CID 134281066) has the molecular formula C18H21F2N5O and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
PubChem CID134281066
Molecular FormulaC18H21F2N5O
Molecular Weight361.40 g/mol
Exact Mass361.17
IUPAC Name5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
SMILESNc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cc1OC(F)F
InChIInChI=1S/C18H21F2N5O/c19-18(20)26-14-4-10(5-23-17(14)21)13-8-25(15(24-13)3-9-1-2-9)16-11-6-22-7-12(11)16/h4-5,8-9,11-12,16,18,22H,1-3,6-7H2,(H2,21,23)/t11-,12+,16?
InChIKeyJZMINDJLKWDOKR-HBBFGDNQSA-N
XLogP2.47
TPSA77.99 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine with MolForge

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Related Compounds

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
5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 135185708
5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
CID 134295133
5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 134295179
3-(difluoromethoxy)-5-[1-[(1R,5S)-3-(2-methoxyethyl)-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]pyridin-2-amine
CID 134281015
5-[2-(cyclopropylmethyl)-1-[3-(4-methylpiperazin-1-yl)but-3-enyl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 167193748
(1S,5R)-6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-propan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-one
CID 118161644
[6-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-2-(2,2-difluorocyclopropyl)pyrimidin-4-yl]methanethiol
CID 134505303
3-[3-[2-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-6-cyclopropyl-4-pyridinyl]azetidin-1-yl]propan-1-ol
CID 134505321
5-[5-(3,3-difluoro-6-bicyclo[3.1.0]hexanyl)-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 140678110
6-[3-[6-amino-5-(difluoromethoxy)-3-pyridinyl]-1-butan-2-ylpyrazol-5-yl]bicyclo[3.1.0]hexan-3-ol
CID 123237556
3-(difluoromethoxy)-5-[1-propan-2-yl-5-[(2S,5R)-1-tricyclo[3.1.0.02,6]hexanyl]pyrazol-3-yl]pyridin-2-amine
CID 154971443

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine (CID 134281066) is 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine is Nc1ncc(-c2cn(C3[C@H]4CNC[C@@H]34)c(CC3CC3)n2)cc1OC(F)F.
What is the InChIKey of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
The InChIKey is JZMINDJLKWDOKR-HBBFGDNQSA-N. The full InChI is InChI=1S/C18H21F2N5O/c19-18(20)26-14-4-10(5-23-17(14)21)13-8-25(15(24-13)3-9-1-2-9)16-11-6-22-7-12(11)16/h4-5,8-9,11-12,16,18,22H,1-3,6-7H2,(H2,21,23)/t11-,12+,16?.
What are the key properties of 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine?
5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine has a molecular weight of 361.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 134281066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).