3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine

C61H56BrF5N10O7 — CID 159690955

IUPAC3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine
SMILESC[C@H]1CNCCN1.Cc1cc(F)c2nc(-c3cc4ccc(F)cc4oc3=O)cn2c1.Cc1cc(F)c2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cn2c1.Cc1cnc(N)c(F)c1.O=C(CBr)c1cc2ccc(F)cc2oc1=O
InChIInChI=1S/C22H21FN4O2.C17H10F2N2O2.C11H6BrFO3.C6H7FN2.C5H12N2/c1-13-7-18(23)21-25-19(12-27(21)10-13)17-8-15-3-4-16(9-20(15)29-22(17)28)26-6-5-24-14(2)11-26;1-9-4-13(19)16-20-14(8-21(16)7-9)12-5-10-2-3-11(18)6-15(10)23-17(12)22;12-5-9(14)8-3-6-1-2-7(13)4-10(6)16-11(8)15;1-4-2-5(7)6(8)9-3-4;1-5-4-6-2-3-7-5/h3-4,7-10,12,14,24H,5-6,11H2,1-2H3;2-8H,1H3;1-4H,5H2;2-3H,1H3,(H2,8,9);5-7H,2-4H2,1H3/t14-;;;;5-/m0...0/s1
InChIKeyMWKCWIUBVMLGGV-YACGQVLNSA-N
MW1216.08 g/mol
LogP10.24
Rot. Bonds5

About 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine

3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine (PubChem CID 159690955) has the molecular formula C61H56BrF5N10O7 and a molecular weight of 1216.08 g/mol. Its IUPAC name is 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine.

Molecular Properties

Compound Name3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine
PubChem CID159690955
Molecular FormulaC61H56BrF5N10O7
Molecular Weight1216.08 g/mol
Exact Mass1214.34
IUPAC Name3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine
SMILESC[C@H]1CNCCN1.Cc1cc(F)c2nc(-c3cc4ccc(F)cc4oc3=O)cn2c1.Cc1cc(F)c2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cn2c1.Cc1cnc(N)c(F)c1.O=C(CBr)c1cc2ccc(F)cc2oc1=O
InChIInChI=1S/C22H21FN4O2.C17H10F2N2O2.C11H6BrFO3.C6H7FN2.C5H12N2/c1-13-7-18(23)21-25-19(12-27(21)10-13)17-8-15-3-4-16(9-20(15)29-22(17)28)26-6-5-24-14(2)11-26;1-9-4-13(19)16-20-14(8-21(16)7-9)12-5-10-2-3-11(18)6-15(10)23-17(12)22;12-5-9(14)8-3-6-1-2-7(13)4-10(6)16-11(8)15;1-4-2-5(7)6(8)9-3-4;1-5-4-6-2-3-7-5/h3-4,7-10,12,14,24H,5-6,11H2,1-2H3;2-8H,1H3;1-4H,5H2;2-3H,1H3,(H2,8,9);5-7H,2-4H2,1H3/t14-;;;;5-/m0...0/s1
InChIKeyMWKCWIUBVMLGGV-YACGQVLNSA-N
XLogP10.24
TPSA220.54 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds5
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001216.08
LogP ≤ 510.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-imidazo[1,2-a]pyrimidin-2-ylchromen-2-one;3-imidazo[1,2-a]pyrimidin-2-yl-7-piperazin-1-ylchromen-2-one;piperazine;pyrimidin-2-amine
CID 160501550
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-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
7-[(3S)-4-(2-aminoethyl)-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 139460014
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
7-(3-methylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 123296157
7-[3-(aminomethyl)pyrrolidin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123601059
7-[(3S)-4-acetyl-3-methylpiperazin-1-yl]-3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 170703462
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
CID 123341802
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397
3-(3,5-dimethoxyphenyl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123141054
7-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)chromen-2-one
CID 123545740

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine?
The IUPAC name of 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine (CID 159690955) is 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine.
What is the SMILES notation for 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine?
The canonical SMILES for 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine is C[C@H]1CNCCN1.Cc1cc(F)c2nc(-c3cc4ccc(F)cc4oc3=O)cn2c1.Cc1cc(F)c2nc(-c3cc4ccc(N5CCN[C@@H](C)C5)cc4oc3=O)cn2c1.Cc1cnc(N)c(F)c1.O=C(CBr)c1cc2ccc(F)cc2oc1=O.
What is the InChIKey of 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine?
The InChIKey is MWKCWIUBVMLGGV-YACGQVLNSA-N. The full InChI is InChI=1S/C22H21FN4O2.C17H10F2N2O2.C11H6BrFO3.C6H7FN2.C5H12N2/c1-13-7-18(23)21-25-19(12-27(21)10-13)17-8-15-3-4-16(9-20(15)29-22(17)28)26-6-5-24-14(2)11-26;1-9-4-13(19)16-20-14(8-21(16)7-9)12-5-10-2-3-11(18)6-15(10)23-17(12)22;12-5-9(14)8-3-6-1-2-7(13)4-10(6)16-11(8)15;1-4-2-5(7)6(8)9-3-4;1-5-4-6-2-3-7-5/h3-4,7-10,12,14,24H,5-6,11H2,1-2H3;2-8H,1H3;1-4H,5H2;2-3H,1H3,(H2,8,9);5-7H,2-4H2,1H3/t14-;;;;5-/m0...0/s1.
What are the key properties of 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine?
3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine has a molecular weight of 1216.08 g/mol, XLogP of 10.24, 5 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoacetyl)-7-fluorochromen-2-one;7-fluoro-3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-fluoro-6-methylimidazo[1,2-a]pyridin-2-yl)-7-[(3S)-3-methylpiperazin-1-yl]chromen-2-one;3-fluoro-5-methylpyridin-2-amine;(2S)-2-methylpiperazine is sourced from PubChem (CID 159690955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).