3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one

C20H20FN5O2 — CID 123623803

IUPAC3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCN1CCN(c2ccc3cc(C4CN5C=C(F)C=NC5=N4)c(=O)oc3c2)CC1
InChIInChI=1S/C20H20FN5O2/c1-24-4-6-25(7-5-24)15-3-2-13-8-16(19(27)28-18(13)9-15)17-12-26-11-14(21)10-22-20(26)23-17/h2-3,8-11,17H,4-7,12H2,1H3
InChIKeySYJMJGAZQOEVIN-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.15
Rot. Bonds2

About 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one

3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one (PubChem CID 123623803) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one.

Molecular Properties

Compound Name3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one
PubChem CID123623803
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one
SMILESCN1CCN(c2ccc3cc(C4CN5C=C(F)C=NC5=N4)c(=O)oc3c2)CC1
InChIInChI=1S/C20H20FN5O2/c1-24-4-6-25(7-5-24)15-3-2-13-8-16(19(27)28-18(13)9-15)17-12-26-11-14(21)10-22-20(26)23-17/h2-3,8-11,17H,4-7,12H2,1H3
InChIKeySYJMJGAZQOEVIN-UHFFFAOYSA-N
XLogP2.15
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-(3,5-dimethylpiperazin-1-yl)-3-(3-fluoro-8-methyl-8,9-dihydropyrimido[1,2-a]azepin-7-yl)chromen-2-one
CID 123750179
3-imidazo[1,2-a]pyridin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one
CID 163611979
3-(2,8-dimethyl-6,7-dihydropyrido[1,2-a]azepin-9-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one
CID 123339799
2-[2-[7-(4-methylpiperazin-1-yl)-2-oxochromen-3-yl]-1,3-thiazol-4-yl]ethyl acetate
CID 175879867
3-(4-methyl-1,3-thiazol-2-yl)-7-piperazin-1-ylchromen-2-one
CID 71622539
3-but-2-en-2-yl-7-pyrrolidin-1-ylchromen-2-one
CID 123593806
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
1-(2-methyl-1-benzofuran-6-yl)piperazine
CID 82614048
7-(3-methylpiperazin-1-yl)-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 123296157
7-(3,5-dimethylpiperazin-1-yl)-3-(5-methylpyrazolo[1,5-a]pyridin-2-yl)chromen-2-one
CID 123816023
7-hydroxy-3-(5-hydroxy-4-methylmorpholin-2-yl)chromen-2-one
CID 174709665
7-(1,4-diazepan-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one;3-(8-ethylimidazo[1,2-a]pyridin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one;7-(4-ethylpiperazin-1-yl)-3-(6-methoxy-2-pyridinyl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one;3-(6-methoxy-2-pyridinyl)-7-[(3R)-3-methylpiperazin-1-yl]chromen-2-one
CID 158832572

Frequently Asked Questions

What is the IUPAC name of 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one?
The IUPAC name of 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one (CID 123623803) is 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one.
What is the SMILES notation for 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one?
The canonical SMILES for 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one is CN1CCN(c2ccc3cc(C4CN5C=C(F)C=NC5=N4)c(=O)oc3c2)CC1.
What is the InChIKey of 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one?
The InChIKey is SYJMJGAZQOEVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-24-4-6-25(7-5-24)15-3-2-13-8-16(19(27)28-18(13)9-15)17-12-26-11-14(21)10-22-20(26)23-17/h2-3,8-11,17H,4-7,12H2,1H3.
What are the key properties of 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one?
3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one has a molecular weight of 381.41 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-fluoro-2,3-dihydroimidazo[1,2-a]pyrimidin-2-yl)-7-(4-methylpiperazin-1-yl)chromen-2-one is sourced from PubChem (CID 123623803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).