9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole

C21H19FN4O — CID 162754982

IUPAC9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole
SMILESCc1c2ccncc2cc2c3cc(OCC4=NCCN4)cc(F)c3n(C)c12
InChIInChI=1S/C21H19FN4O/c1-12-15-3-4-23-10-13(15)7-16-17-8-14(27-11-19-24-5-6-25-19)9-18(22)21(17)26(2)20(12)16/h3-4,7-10H,5-6,11H2,1-2H3,(H,24,25)
InChIKeyZAIDHFUTPPNCNS-UHFFFAOYSA-N
MW362.41 g/mol
LogP3.71
Rot. Bonds3

About 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole

9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole (PubChem CID 162754982) has the molecular formula C21H19FN4O and a molecular weight of 362.41 g/mol. Its IUPAC name is 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole.

Molecular Properties

Compound Name9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole
PubChem CID162754982
Molecular FormulaC21H19FN4O
Molecular Weight362.41 g/mol
Exact Mass362.15
IUPAC Name9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole
SMILESCc1c2ccncc2cc2c3cc(OCC4=NCCN4)cc(F)c3n(C)c12
InChIInChI=1S/C21H19FN4O/c1-12-15-3-4-23-10-13(15)7-16-17-8-14(27-11-19-24-5-6-25-19)9-18(22)21(17)26(2)20(12)16/h3-4,7-10H,5-6,11H2,1-2H3,(H,24,25)
InChIKeyZAIDHFUTPPNCNS-UHFFFAOYSA-N
XLogP3.71
TPSA51.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole with MolForge

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Related Compounds

2-(7-fluoro-5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N,N-dimethylethanamine
CID 162754870
9-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162755280
9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-5-methyl-[1]benzofuro[2,3-g]isoquinoline
CID 162754940
6-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methylpyrido[4,3-b]carbazole
CID 162755056
9-(1H-imidazol-2-ylmethoxy)-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754818
5,6-dimethyl-9-pyridin-4-yloxypyrido[4,3-b]carbazole
CID 162755227
8-fluoro-5,6-dimethyl-9-(2-piperidin-1-ylethoxy)pyrido[4,3-b]carbazole
CID 162755003
9-[2-(azepan-1-yl)ethoxy]-5,6-dimethylpyrido[4,3-b]carbazole
CID 162754930
3-(5,6-dimethylpyrido[3,4-h]carbazol-7-yl)oxy-N,N-dimethylpropan-1-amine
CID 162755230
(2S)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxy-N-methylpropan-2-amine
CID 162754821
4-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypyridin-2-amine
CID 162755193
N-(2,2-difluoroethyl)-1-(5,6-dimethylpyrido[4,3-b]carbazol-9-yl)oxypropan-2-amine
CID 166986452

Frequently Asked Questions

What is the IUPAC name of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole?
The IUPAC name of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole (CID 162754982) is 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole.
What is the SMILES notation for 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole?
The canonical SMILES for 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole is Cc1c2ccncc2cc2c3cc(OCC4=NCCN4)cc(F)c3n(C)c12.
What is the InChIKey of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole?
The InChIKey is ZAIDHFUTPPNCNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O/c1-12-15-3-4-23-10-13(15)7-16-17-8-14(27-11-19-24-5-6-25-19)9-18(22)21(17)26(2)20(12)16/h3-4,7-10H,5-6,11H2,1-2H3,(H,24,25).
What are the key properties of 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole?
9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole has a molecular weight of 362.41 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-7-fluoro-5,6-dimethylpyrido[4,3-b]carbazole is sourced from PubChem (CID 162754982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).