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

C21H25F2N5O2 — CID 134280853

About 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

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 (PubChem CID 134280853) has the molecular formula C21H25F2N5O2 and a molecular weight of 417.46 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 134280853
• Molecular Formula: C21H25F2N5O2
• Molecular Weight: 417.46 g/mol
• Exact Mass: 417.20
• IUPAC Name: 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
• SMILES: Nc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cc1OC(F)F
• InChI: InChI=1S/C21H25F2N5O2/c22-21(23)30-17-4-12(5-25-20(17)24)16-8-28(18(26-16)3-11-1-2-11)19-14-6-27(7-15(14)19)13-9-29-10-13/h4-5,8,11,13-15,19,21H,1-3,6-7,9-10H2,(H2,24,25)/t14-,15+,19?
• InChIKey: PHNRKCAGQVZDLW-RTHVDDQRSA-N
• XLogP: 2.58
• TPSA: 78.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.46
LogP ≤ 5	2.58
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is Nc1ncc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(CC3CC3)n2)cc1OC(F)F.

What is the InChIKey of 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?

The InChIKey is PHNRKCAGQVZDLW-RTHVDDQRSA-N. The full InChI is InChI=1S/C21H25F2N5O2/c22-21(23)30-17-4-12(5-25-20(17)24)16-8-28(18(26-16)3-11-1-2-11)19-14-6-27(7-15(14)19)13-9-29-10-13/h4-5,8,11,13-15,19,21H,1-3,6-7,9-10H2,(H2,24,25)/t14-,15+,19?.

What are the key properties of 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?

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 has a molecular weight of 417.46 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 134280853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).