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

C20H26FN5 — CID 134295133

IUPAC5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC3CC3)n2)cnc1N
InChIInChI=1S/C20H26FN5/c1-12-6-14(8-23-20(12)22)17-11-26(18(24-17)7-13-2-3-13)19-15-9-25(5-4-21)10-16(15)19/h6,8,11,13,15-16,19H,2-5,7,9-10H2,1H3,(H2,22,23)/t15-,16+,19?
InChIKeyQGKARQGNPZHNQQ-MCPYQZEQSA-N
MW355.46 g/mol
LogP2.86
Rot. Bonds6

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

5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine (PubChem CID 134295133) has the molecular formula C20H26FN5 and a molecular weight of 355.46 g/mol. Its IUPAC name is 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
PubChem CID134295133
Molecular FormulaC20H26FN5
Molecular Weight355.46 g/mol
Exact Mass355.22
IUPAC Name5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine
SMILESCc1cc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC3CC3)n2)cnc1N
InChIInChI=1S/C20H26FN5/c1-12-6-14(8-23-20(12)22)17-11-26(18(24-17)7-13-2-3-13)19-15-9-25(5-4-21)10-16(15)19/h6,8,11,13,15-16,19H,2-5,7,9-10H2,1H3,(H2,22,23)/t15-,16+,19?
InChIKeyQGKARQGNPZHNQQ-MCPYQZEQSA-N
XLogP2.86
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
5-[1-[(1S,5R)-3-ethyl-3-azabicyclo[3.1.0]hexan-6-yl]-2-propan-2-ylimidazol-4-yl]-3-methylpyridin-2-amine
CID 134295135
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-[1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-2-(cyclopropylmethyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 134281066
5-[2-cyclopropyl-1-[(1R,5S)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 134281005
3-methyl-5-[1-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-2-(2-methylpropyl)imidazol-4-yl]pyridin-2-amine
CID 134295169
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-[2-(2,2,2-trifluoroethyl)-1-[3-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 140846883
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
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
1-[6-[4-[6-amino-5-(trifluoromethyl)-3-pyridinyl]-2-cyclopropylimidazol-1-yl]-3-azabicyclo[3.1.0]hexan-3-yl]ethanone
CID 140846861

Frequently Asked Questions

What is the IUPAC name of 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine?
The IUPAC name of 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) is 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine?
The canonical SMILES for 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine is Cc1cc(-c2cn(C3[C@H]4CN(CCF)C[C@@H]34)c(CC3CC3)n2)cnc1N.
What is the InChIKey of 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine?
The InChIKey is QGKARQGNPZHNQQ-MCPYQZEQSA-N. The full InChI is InChI=1S/C20H26FN5/c1-12-6-14(8-23-20(12)22)17-11-26(18(24-17)7-13-2-3-13)19-15-9-25(5-4-21)10-16(15)19/h6,8,11,13,15-16,19H,2-5,7,9-10H2,1H3,(H2,22,23)/t15-,16+,19?.
What are the key properties of 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine?
5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine has a molecular weight of 355.46 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(cyclopropylmethyl)-1-[(1S,5R)-3-(2-fluoroethyl)-3-azabicyclo[3.1.0]hexan-6-yl]imidazol-4-yl]-3-methylpyridin-2-amine is sourced from PubChem (CID 134295133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).