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

C20H25N5O — CID 134295113

IUPAC5-[2-cyclopropyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cnc1N
InChIInChI=1S/C20H25N5O/c1-11-4-13(5-22-19(11)21)17-8-25(20(23-17)12-2-3-12)18-15-6-24(7-16(15)18)14-9-26-10-14/h4-5,8,12,14-16,18H,2-3,6-7,9-10H2,1H3,(H2,21,22)/t15-,16+,18?
InChIKeyLJQUNPKFNJOBNX-BYICEURKSA-N
MW351.45 g/mol
LogP2.21
Rot. Bonds4

About 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

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 (PubChem CID 134295113) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[2-cyclopropyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
PubChem CID134295113
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name5-[2-cyclopropyl-1-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cnc1N
InChIInChI=1S/C20H25N5O/c1-11-4-13(5-22-19(11)21)17-8-25(20(23-17)12-2-3-12)18-15-6-24(7-16(15)18)14-9-26-10-14/h4-5,8,12,14-16,18H,2-3,6-7,9-10H2,1H3,(H2,21,22)/t15-,16+,18?
InChIKeyLJQUNPKFNJOBNX-BYICEURKSA-N
XLogP2.21
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-c2cn(C3[C@H]4CN(C5COC5)C[C@@H]34)c(C3CC3)n2)cnc1N.
What is the InChIKey of 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?
The InChIKey is LJQUNPKFNJOBNX-BYICEURKSA-N. The full InChI is InChI=1S/C20H25N5O/c1-11-4-13(5-22-19(11)21)17-8-25(20(23-17)12-2-3-12)18-15-6-24(7-16(15)18)14-9-26-10-14/h4-5,8,12,14-16,18H,2-3,6-7,9-10H2,1H3,(H2,21,22)/t15-,16+,18?.
What are the key properties of 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?
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 has a molecular weight of 351.45 g/mol, XLogP of 2.21, 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-[(1R,5S)-3-(oxetan-3-yl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 134295113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).