3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one

C109H115FN16O16 — CID 159355343

IUPAC3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one
SMILESCN1CCN(c2ccc3cc(-c4cccc(OC5CCC5)n4)c(=O)oc3c2)CC1.COc1cc(OC)cc(-c2cc3ccc(N4CCN[C@@H](C)C4)cc3oc2=O)c1.COc1ccc(-c2cc3c(F)cc(N4CCN[C@H](C)C4)cc3oc2=O)nc1OC.C[C@@H]1CN(c2ccc3cc(-c4cn5ccncc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cccc(OC2CCC2)n1
InChIInChI=1S/C23H25N3O3.C22H23N3O3.C22H24N2O4.C21H22FN3O4.C21H21N5O2/c1-25-10-12-26(13-11-25)17-9-8-16-14-19(23(27)29-21(16)15-17)20-6-3-7-22(24-20)28-18-4-2-5-18;26-22-18(19-5-2-6-21(24-19)27-17-3-1-4-17)13-15-7-8-16(14-20(15)28-22)25-11-9-23-10-12-25;1-14-13-24(7-6-23-14)17-5-4-15-10-20(22(25)28-21(15)11-17)16-8-18(26-2)12-19(9-16)27-3;1-12-11-25(7-6-23-12)13-8-16(22)14-10-15(21(26)29-19(14)9-13)17-4-5-18(27-2)20(24-17)28-3;1-13-10-26(11-14(2)23-13)16-4-3-15-7-17(21(27)28-19(15)8-16)18-12-25-6-5-22-9-20(25)24-18/h3,6-9,14-15,18H,2,4-5,10-13H2,1H3;2,5-8,13-14,17,23H,1,3-4,9-12H2;4-5,8-12,14,23H,6-7,13H2,1-3H3;4-5,8-10,12,23H,6-7,11H2,1-3H3;3-9,12-14,23H,10-11H2,1-2H3/t;;14-;12-;13-,14+/m..01./s1
InChIKeyLHVUCFAQTWPQDS-ZHUIPRSPSA-N
MW1924.21 g/mol
LogP15.51
Rot. Bonds18

About 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one

3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one (PubChem CID 159355343) has the molecular formula C109H115FN16O16 and a molecular weight of 1924.21 g/mol. Its IUPAC name is 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one.

Molecular Properties

Compound Name3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one
PubChem CID159355343
Molecular FormulaC109H115FN16O16
Molecular Weight1924.21 g/mol
Exact Mass1922.87
IUPAC Name3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one
SMILESCN1CCN(c2ccc3cc(-c4cccc(OC5CCC5)n4)c(=O)oc3c2)CC1.COc1cc(OC)cc(-c2cc3ccc(N4CCN[C@@H](C)C4)cc3oc2=O)c1.COc1ccc(-c2cc3c(F)cc(N4CCN[C@H](C)C4)cc3oc2=O)nc1OC.C[C@@H]1CN(c2ccc3cc(-c4cn5ccncc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cccc(OC2CCC2)n1
InChIInChI=1S/C23H25N3O3.C22H23N3O3.C22H24N2O4.C21H22FN3O4.C21H21N5O2/c1-25-10-12-26(13-11-25)17-9-8-16-14-19(23(27)29-21(16)15-17)20-6-3-7-22(24-20)28-18-4-2-5-18;26-22-18(19-5-2-6-21(24-19)27-17-3-1-4-17)13-15-7-8-16(14-20(15)28-22)25-11-9-23-10-12-25;1-14-13-24(7-6-23-14)17-5-4-15-10-20(22(25)28-21(15)11-17)16-8-18(26-2)12-19(9-16)27-3;1-12-11-25(7-6-23-12)13-8-16(22)14-10-15(21(26)29-19(14)9-13)17-4-5-18(27-2)20(24-17)28-3;1-13-10-26(11-14(2)23-13)16-4-3-15-7-17(21(27)28-19(15)8-16)18-12-25-6-5-22-9-20(25)24-18/h3,6-9,14-15,18H,2,4-5,10-13H2,1H3;2,5-8,13-14,17,23H,1,3-4,9-12H2;4-5,8-12,14,23H,6-7,13H2,1-3H3;4-5,8-10,12,23H,6-7,11H2,1-3H3;3-9,12-14,23H,10-11H2,1-2H3/t;;14-;12-;13-,14+/m..01./s1
InChIKeyLHVUCFAQTWPQDS-ZHUIPRSPSA-N
XLogP15.51
TPSA342.85 Ų
H-Bond Donors4
H-Bond Acceptors32
Rotatable Bonds18
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.21
LogP ≤ 515.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one with MolForge

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Related Compounds

7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
CID 158832572
3-(3,5-dimethoxyphenyl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123141054
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[2,1-b][1,3]thiazol-6-ylchromen-2-one;7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(2-methoxy-4-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-(6-methyl-3-pyridinyl)chromen-2-one;3-(6-methyl-3-pyridinyl)-7-piperazin-1-ylchromen-2-one
CID 160976058
7-(1,4-diazepan-1-yl)-5-fluoro-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-(6-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-ethyl-6-methylimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(8-ethyl-6-methylimidazo[1,2-a]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one;5-fluoro-3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one
CID 161036640
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123210784
7-(3,5-dimethylpiperazin-1-yl)-3-pyrrolo[1,2-a]pyrimidin-7-ylchromen-2-one
CID 123896689
3-imidazo[1,2-a]pyridin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one
CID 163611979
7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123862457
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
7-[(1-benzylpyrrolidin-3-yl)-methylamino]-3-(7-methylimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;7-(1,4-diazepan-1-yl)-3-(6-methylimidazo[1,2-a]pyrimidin-2-yl)chromen-2-one;7-[(3S)-3,4-dimethylpiperazin-1-yl]-3-(7-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(6-ethoxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-fluoro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one
CID 158714918
7-[(3S)-3,5-dimethylpiperazin-1-yl]-3-indolizin-2-ylchromen-2-one
CID 139430953

Frequently Asked Questions

What is the IUPAC name of 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one?
The IUPAC name of 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one (CID 159355343) is 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one.
What is the SMILES notation for 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one?
The canonical SMILES for 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one is CN1CCN(c2ccc3cc(-c4cccc(OC5CCC5)n4)c(=O)oc3c2)CC1.COc1cc(OC)cc(-c2cc3ccc(N4CCN[C@@H](C)C4)cc3oc2=O)c1.COc1ccc(-c2cc3c(F)cc(N4CCN[C@H](C)C4)cc3oc2=O)nc1OC.C[C@@H]1CN(c2ccc3cc(-c4cn5ccncc5n4)c(=O)oc3c2)C[C@H](C)N1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cccc(OC2CCC2)n1.
What is the InChIKey of 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one?
The InChIKey is LHVUCFAQTWPQDS-ZHUIPRSPSA-N. The full InChI is InChI=1S/C23H25N3O3.C22H23N3O3.C22H24N2O4.C21H22FN3O4.C21H21N5O2/c1-25-10-12-26(13-11-25)17-9-8-16-14-19(23(27)29-21(16)15-17)20-6-3-7-22(24-20)28-18-4-2-5-18;26-22-18(19-5-2-6-21(24-19)27-17-3-1-4-17)13-15-7-8-16(14-20(15)28-22)25-11-9-23-10-12-25;1-14-13-24(7-6-23-14)17-5-4-15-10-20(22(25)28-21(15)11-17)16-8-18(26-2)12-19(9-16)27-3;1-12-11-25(7-6-23-12)13-8-16(22)14-10-15(21(26)29-19(14)9-13)17-4-5-18(27-2)20(24-17)28-3;1-13-10-26(11-14(2)23-13)16-4-3-15-7-17(21(27)28-19(15)8-16)18-12-25-6-5-22-9-20(25)24-18/h3,6-9,14-15,18H,2,4-5,10-13H2,1H3;2,5-8,13-14,17,23H,1,3-4,9-12H2;4-5,8-12,14,23H,6-7,13H2,1-3H3;4-5,8-10,12,23H,6-7,11H2,1-3H3;3-9,12-14,23H,10-11H2,1-2H3/t;;14-;12-;13-,14+/m..01./s1.
What are the key properties of 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one?
3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one has a molecular weight of 1924.21 g/mol, XLogP of 15.51, 18 rotatable bonds, 4 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-cyclobutyloxy-2-pyridinyl)-7-(4-methylpiperazin-1-yl)chromen-2-one;3-(6-cyclobutyloxy-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;3-(3,5-dimethoxyphenyl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-(5,6-dimethoxy-2-pyridinyl)-5-fluoro-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one;7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-imidazo[1,2-a]pyrazin-2-ylchromen-2-one is sourced from PubChem (CID 159355343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).