3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one

C103H97ClN22O12 — CID 159640040

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
SMILESCCCN1CCN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CC1.CCN1CCN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4nc5ncccc5o4)c(=O)oc3c2)CC1.Cc1c(-c2cn3cc(Cl)ccc3n2)c(=O)oc2cc(N3CCNCC3)ccc12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2ncccc2o1
InChIInChI=1S/C22H23N5O2.C21H19ClN4O2.C21H21N5O2.C20H18N4O3.C19H16N4O3/c1-2-7-25-9-11-26(12-10-25)17-5-4-16-13-18(21(28)29-20(16)14-17)19-15-27-8-3-6-23-22(27)24-19;1-13-16-4-3-15(25-8-6-23-7-9-25)10-18(16)28-21(27)20(13)17-12-26-11-14(22)2-5-19(26)24-17;1-2-24-8-10-25(11-9-24)16-5-4-15-12-17(20(27)28-19(15)13-16)18-14-26-7-3-6-22-21(26)23-18;1-23-7-9-24(10-8-23)14-5-4-13-11-15(20(25)27-17(13)12-14)19-22-18-16(26-19)3-2-6-21-18;24-19-14(18-22-17-15(25-18)2-1-5-21-17)10-12-3-4-13(11-16(12)26-19)23-8-6-20-7-9-23/h3-6,8,13-15H,2,7,9-12H2,1H3;2-5,10-12,23H,6-9H2,1H3;3-7,12-14H,2,8-11H2,1H3;2-6,11-12H,7-10H2,1H3;1-5,10-11,20H,6-9H2
InChIKeyMQFSNLASVPNJQV-UHFFFAOYSA-N
MW1870.50 g/mol
LogP14.31
Rot. Bonds13

About 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one

3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (PubChem CID 159640040) has the molecular formula C103H97ClN22O12 and a molecular weight of 1870.50 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
PubChem CID159640040
Molecular FormulaC103H97ClN22O12
Molecular Weight1870.50 g/mol
Exact Mass1868.73
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one
SMILESCCCN1CCN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CC1.CCN1CCN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4nc5ncccc5o4)c(=O)oc3c2)CC1.Cc1c(-c2cn3cc(Cl)ccc3n2)c(=O)oc2cc(N3CCNCC3)ccc12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2ncccc2o1
InChIInChI=1S/C22H23N5O2.C21H19ClN4O2.C21H21N5O2.C20H18N4O3.C19H16N4O3/c1-2-7-25-9-11-26(12-10-25)17-5-4-16-13-18(21(28)29-20(16)14-17)19-15-27-8-3-6-23-22(27)24-19;1-13-16-4-3-15(25-8-6-23-7-9-25)10-18(16)28-21(27)20(13)17-12-26-11-14(22)2-5-19(26)24-17;1-2-24-8-10-25(11-9-24)16-5-4-15-12-17(20(27)28-19(15)13-16)18-14-26-7-3-6-22-21(26)23-18;1-23-7-9-24(10-8-23)14-5-4-13-11-15(20(25)27-17(13)12-14)19-22-18-16(26-19)3-2-6-21-18;24-19-14(18-22-17-15(25-18)2-1-5-21-17)10-12-3-4-13(11-16(12)26-19)23-8-6-20-7-9-23/h3-6,8,13-15H,2,7,9-12H2,1H3;2-5,10-12,23H,6-9H2,1H3;3-7,12-14H,2,8-11H2,1H3;2-6,11-12H,7-10H2,1H3;1-5,10-11,20H,6-9H2
InChIKeyMQFSNLASVPNJQV-UHFFFAOYSA-N
XLogP14.31
TPSA356.55 Ų
H-Bond Donors2
H-Bond Acceptors34
Rotatable Bonds13
Heavy Atoms138
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001870.50
LogP ≤ 514.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one (CID 159640040) is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is CCCN1CCN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CC1.CCN1CCN(c2ccc3cc(-c4cn5cccnc5n4)c(=O)oc3c2)CC1.CN1CCN(c2ccc3cc(-c4nc5ncccc5o4)c(=O)oc3c2)CC1.Cc1c(-c2cn3cc(Cl)ccc3n2)c(=O)oc2cc(N3CCNCC3)ccc12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1nc2ncccc2o1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
The InChIKey is MQFSNLASVPNJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.C21H19ClN4O2.C21H21N5O2.C20H18N4O3.C19H16N4O3/c1-2-7-25-9-11-26(12-10-25)17-5-4-16-13-18(21(28)29-20(16)14-17)19-15-27-8-3-6-23-22(27)24-19;1-13-16-4-3-15(25-8-6-23-7-9-25)10-18(16)28-21(27)20(13)17-12-26-11-14(22)2-5-19(26)24-17;1-2-24-8-10-25(11-9-24)16-5-4-15-12-17(20(27)28-19(15)13-16)18-14-26-7-3-6-22-21(26)23-18;1-23-7-9-24(10-8-23)14-5-4-13-11-15(20(25)27-17(13)12-14)19-22-18-16(26-19)3-2-6-21-18;24-19-14(18-22-17-15(25-18)2-1-5-21-17)10-12-3-4-13(11-16(12)26-19)23-8-6-20-7-9-23/h3-6,8,13-15H,2,7,9-12H2,1H3;2-5,10-12,23H,6-9H2,1H3;3-7,12-14H,2,8-11H2,1H3;2-6,11-12H,7-10H2,1H3;1-5,10-11,20H,6-9H2.
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one?
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one has a molecular weight of 1870.50 g/mol, XLogP of 14.31, 13 rotatable bonds, 2 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;7-(4-ethylpiperazin-1-yl)-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-(4-propylpiperazin-1-yl)chromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one;3-([1,3]oxazolo[4,5-b]pyridin-2-yl)-7-piperazin-1-ylchromen-2-one is sourced from PubChem (CID 159640040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).