furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone

C21H27N5O3 — CID 97415301

IUPACfuran-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone
SMILESCOCCN(C)c1nc(C2CCN(C(=O)c3ccco3)CC2)cc2c1ncn2C
InChIInChI=1S/C21H27N5O3/c1-24(10-12-28-3)20-19-17(25(2)14-22-19)13-16(23-20)15-6-8-26(9-7-15)21(27)18-5-4-11-29-18/h4-5,11,13-15H,6-10,12H2,1-3H3
InChIKeyOYJIFITUDXLTAJ-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.66
Rot. Bonds6

About furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone

furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone (PubChem CID 97415301) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone
PubChem CID97415301
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Namefuran-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone
SMILESCOCCN(C)c1nc(C2CCN(C(=O)c3ccco3)CC2)cc2c1ncn2C
InChIInChI=1S/C21H27N5O3/c1-24(10-12-28-3)20-19-17(25(2)14-22-19)13-16(23-20)15-6-8-26(9-7-15)21(27)18-5-4-11-29-18/h4-5,11,13-15H,6-10,12H2,1-3H3
InChIKeyOYJIFITUDXLTAJ-UHFFFAOYSA-N
XLogP2.66
TPSA76.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

furan-3-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone;2,2,2-trifluoroacetic acid
CID 155841127
N-(2-methoxyethyl)-N,1-dimethyl-6-[1-(pyridin-2-ylmethyl)piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine
CID 95043061
N-(2-methoxyethyl)-N,1-dimethyl-6-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-yl]imidazo[4,5-c]pyridin-4-amine
CID 155901685
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
[4-(2-cyclopropylpyrazolo[1,5-a]pyrazin-4-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 165434167
N,N-dimethyl-4-(1-methyl-4-pyridin-3-ylimidazo[4,5-c]pyridin-6-yl)piperidine-1-carboxamide
CID 97415290
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-N-(2-methoxyethyl)methanesulfonamide
CID 113149291
1-(furan-2-carbonyl)-N-methoxy-N-methylpiperidine-4-carboxamide
CID 78814076
furan-2-yl-[4-(1-methylimidazol-2-yl)sulfonylpiperidin-1-yl]methanone
CID 91625053
[4-(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 35337435
furan-2-yl-[4-(1-methylindol-3-yl)piperidin-1-yl]methanone
CID 113087188

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone?
The IUPAC name of furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone (CID 97415301) is furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone?
The canonical SMILES for furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone is COCCN(C)c1nc(C2CCN(C(=O)c3ccco3)CC2)cc2c1ncn2C.
What is the InChIKey of furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone?
The InChIKey is OYJIFITUDXLTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-24(10-12-28-3)20-19-17(25(2)14-22-19)13-16(23-20)15-6-8-26(9-7-15)21(27)18-5-4-11-29-18/h4-5,11,13-15H,6-10,12H2,1-3H3.
What are the key properties of furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone?
furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[4-[2-methoxyethyl(methyl)amino]-1-methylimidazo[4,5-c]pyridin-6-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 97415301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).