7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one

C21H19N5O2 — CID 123320681

IUPAC7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC6CC5CN6)cc4oc3=O)nc2cn1
InChIInChI=1S/C21H19N5O2/c1-12-9-25-11-18(24-20(25)8-22-12)17-4-13-2-3-15(6-19(13)28-21(17)27)26-10-14-5-16(26)7-23-14/h2-4,6,8-9,11,14,16,23H,5,7,10H2,1H3
InChIKeyIJZJGKWRSNADHR-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.36
Rot. Bonds2

About 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one

7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one (PubChem CID 123320681) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one.

Molecular Properties

Compound Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
PubChem CID123320681
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
SMILESCc1cn2cc(-c3cc4ccc(N5CC6CC5CN6)cc4oc3=O)nc2cn1
InChIInChI=1S/C21H19N5O2/c1-12-9-25-11-18(24-20(25)8-22-12)17-4-13-2-3-15(6-19(13)28-21(17)27)26-10-14-5-16(26)7-23-14/h2-4,6,8-9,11,14,16,23H,5,7,10H2,1H3
InChIKeyIJZJGKWRSNADHR-UHFFFAOYSA-N
XLogP2.36
TPSA75.67 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 118037489
3-(7-methylimidazo[1,2-a]pyridin-2-yl)-7-(3-methylpiperazin-1-yl)chromen-2-one
CID 123210784
7-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-3-(8-methylimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 71621549
7-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one;7-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one;7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-(5-methylfuro[3,2-b]pyridin-2-yl)chromen-2-one
CID 157308741
7-(3,5-dimethylpiperazin-1-yl)-3-(8-fluoroimidazo[1,2-a]pyridin-2-yl)chromen-2-one
CID 123206233
7-(3,4-dimethylpiperazin-1-yl)-5-fluoro-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one
CID 123862457
7-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-3-[8-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]chromen-2-one
CID 71621397
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)pyrido[1,2-a]pyrimidin-4-one
CID 123495828
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(5-propan-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)chromen-2-one
CID 123619870
7-(3,5-dimethylpiperazin-1-yl)-3-pyrrolo[1,2-a]pyrimidin-7-ylchromen-2-one
CID 123896689
3-imidazo[1,2-a]pyridin-2-yl-7-(4-methyl-1,4-diazepan-1-yl)chromen-2-one
CID 163611979
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(4-ethyl-3-propan-2-ylpiperazin-1-yl)chromen-2-one
CID 123341802

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The IUPAC name of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one (CID 123320681) is 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one.
What is the SMILES notation for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The canonical SMILES for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one is Cc1cn2cc(-c3cc4ccc(N5CC6CC5CN6)cc4oc3=O)nc2cn1.
What is the InChIKey of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
The InChIKey is IJZJGKWRSNADHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-9-25-11-18(24-20(25)8-22-12)17-4-13-2-3-15(6-19(13)28-21(17)27)26-10-14-5-16(26)7-23-14/h2-4,6,8-9,11,14,16,23H,5,7,10H2,1H3.
What are the key properties of 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one?
7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one has a molecular weight of 373.42 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-(6-methylimidazo[1,2-a]pyrazin-2-yl)chromen-2-one is sourced from PubChem (CID 123320681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).