8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol

C72H88BBrF5N17O7 — CID 163582808

IUPAC8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol
SMILESC.C.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(F)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(Br)cc3c21.OB(O)c1ccc(F)nc1.OCCCN1CCCCC1
InChIInChI=1S/C26H31FN6O2.C18H15F2N5O.C13H12BrFN4O.C8H17NO.C5H5BFNO2.2CH4/c1-17(2)33-24-20-14-19(21(27)15-22(20)29-30-25(24)31(3)26(33)34)18-8-9-23(28-16-18)35-13-7-12-32-10-5-4-6-11-32;1-9(2)25-16-12-6-11(10-4-5-15(20)21-8-10)13(19)7-14(12)22-23-17(16)24(3)18(25)26;1-6(2)19-11-7-4-8(14)9(15)5-10(7)16-17-12(11)18(3)13(19)20;10-8-4-7-9-5-2-1-3-6-9;7-5-2-1-4(3-8-5)6(9)10;;/h8-9,14-17H,4-7,10-13H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;10H,1-8H2;1-3,9-10H;2*1H4
InChIKeyGIZFSOAVSIEIII-UHFFFAOYSA-N
MW1489.31 g/mol
LogP11.32
Rot. Bonds14

About 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol

8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol (PubChem CID 163582808) has the molecular formula C72H88BBrF5N17O7 and a molecular weight of 1489.31 g/mol. Its IUPAC name is 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol.

Molecular Properties

Compound Name8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol
PubChem CID163582808
Molecular FormulaC72H88BBrF5N17O7
Molecular Weight1489.31 g/mol
Exact Mass1487.62
IUPAC Name8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol
SMILESC.C.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(F)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(Br)cc3c21.OB(O)c1ccc(F)nc1.OCCCN1CCCCC1
InChIInChI=1S/C26H31FN6O2.C18H15F2N5O.C13H12BrFN4O.C8H17NO.C5H5BFNO2.2CH4/c1-17(2)33-24-20-14-19(21(27)15-22(20)29-30-25(24)31(3)26(33)34)18-8-9-23(28-16-18)35-13-7-12-32-10-5-4-6-11-32;1-9(2)25-16-12-6-11(10-4-5-15(20)21-8-10)13(19)7-14(12)22-23-17(16)24(3)18(25)26;1-6(2)19-11-7-4-8(14)9(15)5-10(7)16-17-12(11)18(3)13(19)20;10-8-4-7-9-5-2-1-3-6-9;7-5-2-1-4(3-8-5)6(9)10;;/h8-9,14-17H,4-7,10-13H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;10H,1-8H2;1-3,9-10H;2*1H4
InChIKeyGIZFSOAVSIEIII-UHFFFAOYSA-N
XLogP11.32
TPSA273.20 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds14
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001489.31
LogP ≤ 511.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

US12226414, Example 14
CID 146530571
US12226414, Example 20
CID 146530798
US12226414, Example 25
CID 146530808
US12226414, Example 15
CID 149832401
7-Fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530464
7-Fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 146530470
7-Fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-(oxan-4-yl)imidazo[4,5-c]cinnolin-2-one
CID 146530473
7-Fluoro-3-methyl-1-(oxan-4-yl)-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]imidazo[4,5-c]cinnolin-2-one
CID 146530505
7-Fluoro-3-methyl-8-[6-[3-(4-methylpiperazin-1-yl)propoxy]-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one
CID 146530590
tert-butyl N-[1-[6-[5-bromo-1-(oxan-2-yl)indazol-3-yl]pyrazin-2-yl]piperidin-4-yl]carbamate;(2-fluoro-3-methoxyphenyl)boronic acid;1-[6-[5-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
CID 158014289
8-Bromo-1-(2-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one;(6-methoxy-3-pyridinyl)boronic acid;1-(2-methoxy-3-pyridinyl)-8-(6-methoxy-3-pyridinyl)-3-methylimidazo[4,5-c]quinolin-2-one
CID 158060490
Sodium;5-bromo-2-butoxypyridine;8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;5-bromo-2-fluoropyridine;butan-1-ol;bis(8-(6-butoxy-3-pyridinyl)-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one);2-butoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;7-fluoro-8-[6-[3-(4-fluoropiperidin-1-yl)propoxy]-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-[6-(3-hydroxypropoxy)-3-pyridinyl]-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;4-fluoropiperidine;hydride;methane;methanesulfonyl chloride
CID 163653178

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol?
The IUPAC name of 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol (CID 163582808) is 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol.
What is the SMILES notation for 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol?
The canonical SMILES for 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol is C.C.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(F)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(-c4ccc(OCCCN5CCCCC5)nc4)cc3c21.CC(C)n1c(=O)n(C)c2nnc3cc(F)c(Br)cc3c21.OB(O)c1ccc(F)nc1.OCCCN1CCCCC1.
What is the InChIKey of 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol?
The InChIKey is GIZFSOAVSIEIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2.C18H15F2N5O.C13H12BrFN4O.C8H17NO.C5H5BFNO2.2CH4/c1-17(2)33-24-20-14-19(21(27)15-22(20)29-30-25(24)31(3)26(33)34)18-8-9-23(28-16-18)35-13-7-12-32-10-5-4-6-11-32;1-9(2)25-16-12-6-11(10-4-5-15(20)21-8-10)13(19)7-14(12)22-23-17(16)24(3)18(25)26;1-6(2)19-11-7-4-8(14)9(15)5-10(7)16-17-12(11)18(3)13(19)20;10-8-4-7-9-5-2-1-3-6-9;7-5-2-1-4(3-8-5)6(9)10;;/h8-9,14-17H,4-7,10-13H2,1-3H3;4-9H,1-3H3;4-6H,1-3H3;10H,1-8H2;1-3,9-10H;2*1H4.
What are the key properties of 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol?
8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol has a molecular weight of 1489.31 g/mol, XLogP of 11.32, 14 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-8-(6-fluoro-3-pyridinyl)-3-methyl-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;7-fluoro-3-methyl-8-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]-1-propan-2-ylimidazo[4,5-c]cinnolin-2-one;(6-fluoro-3-pyridinyl)boronic acid;methane;3-piperidin-1-ylpropan-1-ol is sourced from PubChem (CID 163582808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).