7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one

C16H19N3O — CID 170691524

IUPAC7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one
SMILESCc1ccnc2nc(C34CCC(CC3=O)C4(C)C)[nH]c12
InChIInChI=1S/C16H19N3O/c1-9-5-7-17-13-12(9)18-14(19-13)16-6-4-10(8-11(16)20)15(16,2)3/h5,7,10H,4,6,8H2,1-3H3,(H,17,18,19)
InChIKeyUMTAREJYUKCPPD-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.91
Rot. Bonds1

About 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one

7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one (PubChem CID 170691524) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one.

Molecular Properties

Compound Name7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one
PubChem CID170691524
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one
SMILESCc1ccnc2nc(C34CCC(CC3=O)C4(C)C)[nH]c12
InChIInChI=1S/C16H19N3O/c1-9-5-7-17-13-12(9)18-14(19-13)16-6-4-10(8-11(16)20)15(16,2)3/h5,7,10H,4,6,8H2,1-3H3,(H,17,18,19)
InChIKeyUMTAREJYUKCPPD-UHFFFAOYSA-N
XLogP2.91
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one with MolForge

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Related Compounds

4-(1h-Imidazo[4,5-C]pyridin-2-Yl)fluoren-9-One
CID 53393801
1-[4-(7-ethyl-5H-pyrrolo[2,3-b]pyrazin-6-yl)phenyl]ethanone
CID 49830902
N-[[4-(aminomethyl)cyclohexyl]methyl]-2-(2-bicyclo[2.2.1]heptanyl)-1H-imidazo[4,5-b]pyridine-7-carboxamide
CID 49857207
4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]-N-methylcyclohex-3-ene-1-carboxamide
CID 86293391
1-(3-(2-(4-(dimethylamino)phenyl)-3H-imidazo[4,5-b]pyridin-6-yl)phenyl)ethanone
CID 44433689
1-[4-(3H-imidazo[4,5-c]pyridin-2-yl)phenyl]ethanone
CID 118708173
1-(1H-imidazo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one
CID 127036851
1-[4-(3H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanone
CID 59822148
(2R)-2-amino-3-cyclopentyl-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]propanamide
CID 176840681
4-[4-[6-(benzylamino)pyrazin-2-yl]-1H-pyrrolo[2,3-b]pyridin-2-yl]cyclohex-3-ene-1-carboxamide
CID 86293014
US11352340, Example 138
CID 129315491
US11466034, Example 7
CID 166177888

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one?
The IUPAC name of 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one (CID 170691524) is 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one.
What is the SMILES notation for 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one?
The canonical SMILES for 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one is Cc1ccnc2nc(C34CCC(CC3=O)C4(C)C)[nH]c12.
What is the InChIKey of 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one?
The InChIKey is UMTAREJYUKCPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-9-5-7-17-13-12(9)18-14(19-13)16-6-4-10(8-11(16)20)15(16,2)3/h5,7,10H,4,6,8H2,1-3H3,(H,17,18,19).
What are the key properties of 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one?
7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one has a molecular weight of 269.35 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-(7-methyl-1H-imidazo[4,5-b]pyridin-2-yl)bicyclo[2.2.1]heptan-2-one is sourced from PubChem (CID 170691524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).