6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one

C122H121N21O12 — CID 157364582

IUPAC6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one
SMILESC[C@@H]1CN(c2ccc3oc(-c4ccccn4)cc(=O)c3c2)CCN1.C[C@@H]1CN(c2ccc3oc(-c4ccccn4)cc(=O)c3c2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)CCN1.C[C@@H]1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)C[C@H](C)N1.O=c1cc(-c2ccccn2)oc2ccc(N3CCCNCC3)cc12.O=c1cc(-c2cn3ccccc3n2)oc2ccc(N3CCCNCC3)cc12
InChIInChI=1S/C22H22N4O2.2C21H20N4O2.C20H21N3O2.2C19H19N3O2/c1-14-11-26(12-15(2)23-14)16-6-7-20-17(9-16)19(27)10-21(28-20)18-13-25-8-4-3-5-22(25)24-18;1-14-12-24(9-7-22-14)15-5-6-19-16(10-15)18(26)11-20(27-19)17-13-25-8-3-2-4-21(25)23-17;26-18-13-20(17-14-25-9-2-1-4-21(25)23-17)27-19-6-5-15(12-16(18)19)24-10-3-7-22-8-11-24;1-13-11-23(12-14(2)22-13)15-6-7-19-16(9-15)18(24)10-20(25-19)17-5-3-4-8-21-17;1-13-12-22(9-8-20-13)14-5-6-18-15(10-14)17(23)11-19(24-18)16-4-2-3-7-21-16;23-17-13-19(16-4-1-2-8-21-16)24-18-6-5-14(12-15(17)18)22-10-3-7-20-9-11-22/h3-10,13-15,23H,11-12H2,1-2H3;2-6,8,10-11,13-14,22H,7,9,12H2,1H3;1-2,4-6,9,12-14,22H,3,7-8,10-11H2;3-10,13-14,22H,11-12H2,1-2H3;2-7,10-11,13,20H,8-9,12H2,1H3;1-2,4-6,8,12-13,20H,3,7,9-11H2/t14-,15+;14-;;13-,14+;13-;/m.1..1./s1
InChIKeyBJALKSGDLJZQLL-TTXLXQQSSA-N
MW2073.44 g/mol
LogP17.46
Rot. Bonds12

About 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one

6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one (PubChem CID 157364582) has the molecular formula C122H121N21O12 and a molecular weight of 2073.44 g/mol. Its IUPAC name is 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one.

Molecular Properties

Compound Name6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one
PubChem CID157364582
Molecular FormulaC122H121N21O12
Molecular Weight2073.44 g/mol
Exact Mass2071.95
IUPAC Name6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one
SMILESC[C@@H]1CN(c2ccc3oc(-c4ccccn4)cc(=O)c3c2)CCN1.C[C@@H]1CN(c2ccc3oc(-c4ccccn4)cc(=O)c3c2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)CCN1.C[C@@H]1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)C[C@H](C)N1.O=c1cc(-c2ccccn2)oc2ccc(N3CCCNCC3)cc12.O=c1cc(-c2cn3ccccc3n2)oc2ccc(N3CCCNCC3)cc12
InChIInChI=1S/C22H22N4O2.2C21H20N4O2.C20H21N3O2.2C19H19N3O2/c1-14-11-26(12-15(2)23-14)16-6-7-20-17(9-16)19(27)10-21(28-20)18-13-25-8-4-3-5-22(25)24-18;1-14-12-24(9-7-22-14)15-5-6-19-16(10-15)18(26)11-20(27-19)17-13-25-8-3-2-4-21(25)23-17;26-18-13-20(17-14-25-9-2-1-4-21(25)23-17)27-19-6-5-15(12-16(18)19)24-10-3-7-22-8-11-24;1-13-11-23(12-14(2)22-13)15-6-7-19-16(9-15)18(24)10-20(25-19)17-5-3-4-8-21-17;1-13-12-22(9-8-20-13)14-5-6-18-15(10-14)17(23)11-19(24-18)16-4-2-3-7-21-16;23-17-13-19(16-4-1-2-8-21-16)24-18-6-5-14(12-15(17)18)22-10-3-7-20-9-11-22/h3-10,13-15,23H,11-12H2,1-2H3;2-6,8,10-11,13-14,22H,7,9,12H2,1H3;1-2,4-6,9,12-14,22H,3,7-8,10-11H2;3-10,13-14,22H,11-12H2,1-2H3;2-7,10-11,13,20H,8-9,12H2,1H3;1-2,4-6,8,12-13,20H,3,7,9-11H2/t14-,15+;14-;;13-,14+;13-;/m.1..1./s1
InChIKeyBJALKSGDLJZQLL-TTXLXQQSSA-N
XLogP17.46
TPSA363.45 Ų
H-Bond Donors6
H-Bond Acceptors33
Rotatable Bonds12
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002073.44
LogP ≤ 517.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1033

Analyze 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one?
The IUPAC name of 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one (CID 157364582) is 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one.
What is the SMILES notation for 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one?
The canonical SMILES for 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one is C[C@@H]1CN(c2ccc3oc(-c4ccccn4)cc(=O)c3c2)CCN1.C[C@@H]1CN(c2ccc3oc(-c4ccccn4)cc(=O)c3c2)C[C@H](C)N1.C[C@@H]1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)CCN1.C[C@@H]1CN(c2ccc3oc(-c4cn5ccccc5n4)cc(=O)c3c2)C[C@H](C)N1.O=c1cc(-c2ccccn2)oc2ccc(N3CCCNCC3)cc12.O=c1cc(-c2cn3ccccc3n2)oc2ccc(N3CCCNCC3)cc12.
What is the InChIKey of 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one?
The InChIKey is BJALKSGDLJZQLL-TTXLXQQSSA-N. The full InChI is InChI=1S/C22H22N4O2.2C21H20N4O2.C20H21N3O2.2C19H19N3O2/c1-14-11-26(12-15(2)23-14)16-6-7-20-17(9-16)19(27)10-21(28-20)18-13-25-8-4-3-5-22(25)24-18;1-14-12-24(9-7-22-14)15-5-6-19-16(10-15)18(26)11-20(27-19)17-13-25-8-3-2-4-21(25)23-17;26-18-13-20(17-14-25-9-2-1-4-21(25)23-17)27-19-6-5-15(12-16(18)19)24-10-3-7-22-8-11-24;1-13-11-23(12-14(2)22-13)15-6-7-19-16(9-15)18(24)10-20(25-19)17-5-3-4-8-21-17;1-13-12-22(9-8-20-13)14-5-6-18-15(10-14)17(23)11-19(24-18)16-4-2-3-7-21-16;23-17-13-19(16-4-1-2-8-21-16)24-18-6-5-14(12-15(17)18)22-10-3-7-20-9-11-22/h3-10,13-15,23H,11-12H2,1-2H3;2-6,8,10-11,13-14,22H,7,9,12H2,1H3;1-2,4-6,9,12-14,22H,3,7-8,10-11H2;3-10,13-14,22H,11-12H2,1-2H3;2-7,10-11,13,20H,8-9,12H2,1H3;1-2,4-6,8,12-13,20H,3,7,9-11H2/t14-,15+;14-;;13-,14+;13-;/m.1..1./s1.
What are the key properties of 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one?
6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one has a molecular weight of 2073.44 g/mol, XLogP of 17.46, 12 rotatable bonds, 6 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4-diazepan-1-yl)-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-(1,4-diazepan-1-yl)-2-pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylchromen-4-one;6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one;2-imidazo[1,2-a]pyridin-2-yl-6-[(3R)-3-methylpiperazin-1-yl]chromen-4-one;6-[(3R)-3-methylpiperazin-1-yl]-2-pyridin-2-ylchromen-4-one is sourced from PubChem (CID 157364582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).