4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde

C19H23N5O2 — CID 135192761

IUPAC4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde
SMILESCc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C=O)n2)cnc1N
InChIInChI=1S/C19H23N5O2/c1-13-6-14(7-21-17(13)20)15-8-24(16(9-25)22-15)19-10-18(11-19,12-19)23-2-4-26-5-3-23/h6-9H,2-5,10-12H2,1H3,(H2,20,21)
InChIKeyMNZHOPDJPZLEEO-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.61
Rot. Bonds4

About 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde

4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde (PubChem CID 135192761) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde
PubChem CID135192761
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde
SMILESCc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C=O)n2)cnc1N
InChIInChI=1S/C19H23N5O2/c1-13-6-14(7-21-17(13)20)15-8-24(16(9-25)22-15)19-10-18(11-19,12-19)23-2-4-26-5-3-23/h6-9H,2-5,10-12H2,1H3,(H2,20,21)
InChIKeyMNZHOPDJPZLEEO-UHFFFAOYSA-N
XLogP1.61
TPSA86.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
CID 135185713
5-[2-(cyclopropylmethyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-(difluoromethoxy)pyridin-2-amine
CID 135185708
4-[3-[2-cyclopropyl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine
CID 135192767
5-[1-(1-bicyclo[1.1.1]pentanyl)-2-propan-2-ylimidazol-4-yl]-2-methyl-3-(trifluoromethyl)pyridine;4-[3-[2-butan-2-yl-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine;bis(5-[2-butan-2-yl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine);5-[2-ethyl-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]-3-methylpyridin-2-amine;3-methyl-5-[2-(2-methylpropyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-4-yl]pyridin-2-amine;4-[3-[2-(2-methylpropyl)-4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]morpholine
CID 160789018
2-methyl-1-[4-[6-methyl-5-(trifluoromethyl)-3-pyridinyl]-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]propan-1-ol
CID 135192758
1-[4-(6-amino-5-methyl-3-pyridinyl)-1-(1-bicyclo[1.1.1]pentanyl)imidazol-2-yl]-2,2,2-trifluoroethanol
CID 167574256
5-[1-(2-ethyl-3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)-2-propylimidazol-4-yl]-3-(trifluoromethoxy)pyridin-2-amine
CID 135193334
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
(1S)-1-[4-[6-amino-5-(trifluoromethoxy)-3-pyridinyl]-1-[3-(4-propylpiperazin-1-yl)-1-bicyclo[1.1.1]pentanyl]imidazol-2-yl]-2-methylpropan-1-ol
CID 134590142
5-(2,3-dihydropyridin-5-yl)-3-methylpyridin-2-amine;ethane;formic acid
CID 145269273
4-(5-methyl-6-morpholin-4-yl-3-pyridinyl)aniline
CID 110282201
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

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde?
The IUPAC name of 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde (CID 135192761) is 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde?
The canonical SMILES for 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde is Cc1cc(-c2cn(C34CC(N5CCOCC5)(C3)C4)c(C=O)n2)cnc1N.
What is the InChIKey of 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde?
The InChIKey is MNZHOPDJPZLEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-6-14(7-21-17(13)20)15-8-24(16(9-25)22-15)19-10-18(11-19,12-19)23-2-4-26-5-3-23/h6-9H,2-5,10-12H2,1H3,(H2,20,21).
What are the key properties of 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde?
4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde has a molecular weight of 353.43 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-5-methyl-3-pyridinyl)-1-(3-morpholin-4-yl-1-bicyclo[1.1.1]pentanyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 135192761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).