3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one

C102H93Cl2F3N20O10 — CID 160536321

About 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one

3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one (PubChem CID 160536321) has the molecular formula C102H93Cl2F3N20O10 and a molecular weight of 1886.90 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one.

Molecular Properties

• Compound Name: 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one
• PubChem CID: 160536321
• Molecular Formula: C102H93Cl2F3N20O10
• Molecular Weight: 1886.90 g/mol
• Exact Mass: 1884.67
• IUPAC Name: 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one
• SMILES: CN1CCCN(c2ccc3cc(-c4cn5cc(Cl)ccc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN[C@@H](C)CN1c1ccc2cc(-c3cn4cc(Cl)ccc4n3)c(=O)oc2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccc2[nH]ncc2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cccc(C(F)(F)F)n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccnc2n1
• InChI: InChI=1S/2C22H21ClN4O2.C20H18N4O2.C19H16F3N3O2.C19H17N5O2/c1-13-10-27(14(2)9-24-13)17-5-3-15-7-18(22(28)29-20(15)8-17)19-12-26-11-16(23)4-6-21(26)25-19;1-25-7-2-8-26(10-9-25)17-5-3-15-11-18(22(28)29-20(15)12-17)19-14-27-13-16(23)4-6-21(27)24-19;25-20-17(13-2-4-18-15(9-13)12-22-23-18)10-14-1-3-16(11-19(14)26-20)24-7-5-21-6-8-24;20-19(21,22)17-3-1-2-15(24-17)14-10-12-4-5-13(11-16(12)27-18(14)26)25-8-6-23-7-9-25;25-18-15(16-12-24-7-1-4-21-19(24)22-16)10-13-2-3-14(11-17(13)26-18)23-8-5-20-6-9-23/h3-8,11-14,24H,9-10H2,1-2H3;3-6,11-14H,2,7-10H2,1H3;1-4,9-12,21H,5-8H2,(H,22,23);1-5,10-11,23H,6-9H2;1-4,7,10-12,20H,5-6,8-9H2/t13-,14+;;;;/m0..../s1
• InChIKey: QWFAXIUUBFYDLV-CIGCOMLQSA-N
• XLogP: 15.79
• TPSA: 324.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 10
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1886.90
LogP ≤ 5	15.79
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one?

The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one (CID 160536321) is 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one.

What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one?

The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one is CN1CCCN(c2ccc3cc(-c4cn5cc(Cl)ccc5n4)c(=O)oc3c2)CC1.C[C@@H]1CN[C@@H](C)CN1c1ccc2cc(-c3cn4cc(Cl)ccc4n3)c(=O)oc2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1ccc2[nH]ncc2c1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cccc(C(F)(F)F)n1.O=c1oc2cc(N3CCNCC3)ccc2cc1-c1cn2cccnc2n1.

What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one?

The InChIKey is QWFAXIUUBFYDLV-CIGCOMLQSA-N. The full InChI is InChI=1S/2C22H21ClN4O2.C20H18N4O2.C19H16F3N3O2.C19H17N5O2/c1-13-10-27(14(2)9-24-13)17-5-3-15-7-18(22(28)29-20(15)8-17)19-12-26-11-16(23)4-6-21(26)25-19;1-25-7-2-8-26(10-9-25)17-5-3-15-11-18(22(28)29-20(15)12-17)19-14-27-13-16(23)4-6-21(27)24-19;25-20-17(13-2-4-18-15(9-13)12-22-23-18)10-14-1-3-16(11-19(14)26-20)24-7-5-21-6-8-24;20-19(21,22)17-3-1-2-15(24-17)14-10-12-4-5-13(11-16(12)27-18(14)26)25-8-6-23-7-9-25;25-18-15(16-12-24-7-1-4-21-19(24)22-16)10-13-2-3-14(11-17(13)26-18)23-8-5-20-6-9-23/h3-8,11-14,24H,9-10H2,1-2H3;3-6,11-14H,2,7-10H2,1H3;1-4,9-12,21H,5-8H2,(H,22,23);1-5,10-11,23H,6-9H2;1-4,7,10-12,20H,5-6,8-9H2/t13-,14+;;;;/m0..../s1.

What are the key properties of 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one?

3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one has a molecular weight of 1886.90 g/mol, XLogP of 15.79, 10 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-[(2R,5S)-2,5-dimethylpiperazin-1-yl]chromen-2-one;3-(6-chloroimidazo[1,2-a]pyridin-2-yl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;3-(1H-indazol-5-yl)-7-piperazin-1-ylchromen-2-one;7-piperazin-1-yl-3-[6-(trifluoromethyl)-2-pyridinyl]chromen-2-one is sourced from PubChem (CID 160536321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).