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

C59H53Cl2N11O7 — CID 118165887

IUPAC3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one
SMILESCN1CCN(c2ccc3cc(-c4nc5ncccc5o4)c(=O)oc3c2)CC1.Cc1c(-c2cn3cc(Cl)ccc3n2)c(=O)oc2cc(N3CCNCC3)ccc12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccc(Cl)cn1
InChIInChI=1S/C21H19ClN4O2.C20H18N4O3.C18H16ClN3O2/c1-13-16-4-3-15(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;1-23-7-9-24(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;19-13-2-4-16(21-11-13)15-9-12-1-3-14(10-17(12)24-18(15)23)22-7-5-20-6-8-22/h2-5,10-12,23H,6-9H2,1H3;2-6,11-12H,7-10H2,1H3;1-4,9-11,20H,5-8H2
InChIKeyPFNIVZJLZWWQHH-UHFFFAOYSA-N
MW1099.05 g/mol
LogP9.15
Rot. Bonds6

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

3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one (PubChem CID 118165887) has the molecular formula C59H53Cl2N11O7 and a molecular weight of 1099.05 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one
PubChem CID118165887
Molecular FormulaC59H53Cl2N11O7
Molecular Weight1099.05 g/mol
Exact Mass1097.35
IUPAC Name3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one
SMILESCN1CCN(c2ccc3cc(-c4nc5ncccc5o4)c(=O)oc3c2)CC1.Cc1c(-c2cn3cc(Cl)ccc3n2)c(=O)oc2cc(N3CCNCC3)ccc12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccc(Cl)cn1
InChIInChI=1S/C21H19ClN4O2.C20H18N4O3.C18H16ClN3O2/c1-13-16-4-3-15(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;1-23-7-9-24(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;19-13-2-4-16(21-11-13)15-9-12-1-3-14(10-17(12)24-18(15)23)22-7-5-20-6-8-22/h2-5,10-12,23H,6-9H2,1H3;2-6,11-12H,7-10H2,1H3;1-4,9-11,20H,5-8H2
InChIKeyPFNIVZJLZWWQHH-UHFFFAOYSA-N
XLogP9.15
TPSA196.76 Ų
H-Bond Donors2
H-Bond Acceptors18
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.05
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1018

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;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-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;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one (CID 118165887) is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-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;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one is CN1CCN(c2ccc3cc(-c4nc5ncccc5o4)c(=O)oc3c2)CC1.Cc1c(-c2cn3cc(Cl)ccc3n2)c(=O)oc2cc(N3CCNCC3)ccc12.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccc(Cl)cn1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one?
The InChIKey is PFNIVZJLZWWQHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2.C20H18N4O3.C18H16ClN3O2/c1-13-16-4-3-15(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;1-23-7-9-24(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;19-13-2-4-16(21-11-13)15-9-12-1-3-14(10-17(12)24-18(15)23)22-7-5-20-6-8-22/h2-5,10-12,23H,6-9H2,1H3;2-6,11-12H,7-10H2,1H3;1-4,9-11,20H,5-8H2.
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one?
3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-4-methyl-7-piperazin-1-ylchromen-2-one;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one has a molecular weight of 1099.05 g/mol, XLogP of 9.15, 6 rotatable bonds, 2 hydrogen bond donors, and 18 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;3-(5-chloro-2-pyridinyl)-7-piperazin-1-ylchromen-2-one;7-(4-methylpiperazin-1-yl)-3-([1,3]oxazolo[4,5-b]pyridin-2-yl)chromen-2-one is sourced from PubChem (CID 118165887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).