3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one

C82H76ClFN18O9S — CID 159003506

IUPAC3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC1.CN1CCCN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CC1.O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1nc2ccccc2o1.O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C21H20ClN5O2.C21H20FN5O2.C20H18N4O3.C20H18N4O2S/c2*1-25-7-3-9-26(11-10-25)18-6-5-14-12-15(21(28)29-20(14)24-18)17-13-27-8-2-4-16(22)19(27)23-17;25-20-14(19-22-15-4-1-2-5-16(15)26-19)12-13-6-7-17(23-18(13)27-20)24-10-3-8-21-9-11-24;25-20-14(19-22-15-4-1-2-5-16(15)27-19)12-13-6-7-17(23-18(13)26-20)24-10-3-8-21-9-11-24/h2*2,4-6,8,12-13H,3,7,9-11H2,1H3;2*1-2,4-7,12,21H,3,8-11H2
InChIKeyJRQCBIBSBDSACP-UHFFFAOYSA-N
MW1544.14 g/mol
LogP12.14
Rot. Bonds8

About 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one

3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one (PubChem CID 159003506) has the molecular formula C82H76ClFN18O9S and a molecular weight of 1544.14 g/mol. Its IUPAC name is 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one.

Molecular Properties

Compound Name3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
PubChem CID159003506
Molecular FormulaC82H76ClFN18O9S
Molecular Weight1544.14 g/mol
Exact Mass1542.54
IUPAC Name3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one
SMILESCN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC1.CN1CCCN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CC1.O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1nc2ccccc2o1.O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1nc2ccccc2s1
InChIInChI=1S/C21H20ClN5O2.C21H20FN5O2.C20H18N4O3.C20H18N4O2S/c2*1-25-7-3-9-26(11-10-25)18-6-5-14-12-15(21(28)29-20(14)24-18)17-13-27-8-2-4-16(22)19(27)23-17;25-20-14(19-22-15-4-1-2-5-16(15)26-19)12-13-6-7-17(23-18(13)27-20)24-10-3-8-21-9-11-24;25-20-14(19-22-15-4-1-2-5-16(15)27-19)12-13-6-7-17(23-18(13)26-20)24-10-3-8-21-9-11-24/h2*2,4-6,8,12-13H,3,7,9-11H2,1H3;2*1-2,4-7,12,21H,3,8-11H2
InChIKeyJRQCBIBSBDSACP-UHFFFAOYSA-N
XLogP12.14
TPSA289.42 Ų
H-Bond Donors2
H-Bond Acceptors28
Rotatable Bonds8
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001544.14
LogP ≤ 512.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1028

Analyze 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-(1,3-Benzothiazol-2-yl)-5-fluoro-7-piperazin-1-ylchromen-2-one;3-(1,3-benzothiazol-2-yl)-6-fluoro-7-piperazin-1-ylchromen-2-one;3-(1,3-benzoxazol-2-yl)-5-fluoro-7-piperazin-1-ylchromen-2-one;5-fluoro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;6-fluoro-3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;5-fluoro-7-piperazin-1-yl-3-pyridin-2-ylchromen-2-one
CID 159434884
3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one;3-(4-chloro-1,3-benzothiazol-2-yl)-7-[(3R,5S)-3,4,5-trimethylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)pyrano[2,3-b]pyridin-2-one;3-(6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrano[2,3-b]pyridin-2-one
CID 160863616
3-(4-Chloro-1,3-benzothiazol-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-imidazo[1,2-a]pyridin-2-yl-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)pyrano[2,3-b]pyridin-2-one;3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylpyrano[3,2-c]pyridin-2-one
CID 161091853

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The IUPAC name of 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one (CID 159003506) is 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one.
What is the SMILES notation for 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The canonical SMILES for 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one is CN1CCCN(c2ccc3cc(-c4cn5cccc(Cl)c5n4)c(=O)oc3n2)CC1.CN1CCCN(c2ccc3cc(-c4cn5cccc(F)c5n4)c(=O)oc3n2)CC1.O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1nc2ccccc2o1.O=c1oc2nc(N3CCCNCC3)ccc2cc1-c1nc2ccccc2s1.
What is the InChIKey of 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
The InChIKey is JRQCBIBSBDSACP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN5O2.C21H20FN5O2.C20H18N4O3.C20H18N4O2S/c2*1-25-7-3-9-26(11-10-25)18-6-5-14-12-15(21(28)29-20(14)24-18)17-13-27-8-2-4-16(22)19(27)23-17;25-20-14(19-22-15-4-1-2-5-16(15)26-19)12-13-6-7-17(23-18(13)27-20)24-10-3-8-21-9-11-24;25-20-14(19-22-15-4-1-2-5-16(15)27-19)12-13-6-7-17(23-18(13)26-20)24-10-3-8-21-9-11-24/h2*2,4-6,8,12-13H,3,7,9-11H2,1H3;2*1-2,4-7,12,21H,3,8-11H2.
What are the key properties of 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one?
3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one has a molecular weight of 1544.14 g/mol, XLogP of 12.14, 8 rotatable bonds, 2 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzothiazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(1,3-benzoxazol-2-yl)-7-(1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one;3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)pyrano[2,3-b]pyridin-2-one is sourced from PubChem (CID 159003506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).