3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one

C25H26N4O2 — CID 71679779

IUPAC3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(C5=CCN(C(C)C)CC5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C25H26N4O2/c1-15(2)28-9-7-18(8-10-28)19-5-6-20-12-23(31-25(30)21(20)11-19)22-14-29-13-16(3)26-17(4)24(29)27-22/h5-7,11-15H,8-10H2,1-4H3
InChIKeyCVAXFFBONNMMNT-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.62
Rot. Bonds3

About 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one

3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one (PubChem CID 71679779) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one.

Molecular Properties

Compound Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
PubChem CID71679779
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one
SMILESCc1cn2cc(-c3cc4ccc(C5=CCN(C(C)C)CC5)cc4c(=O)o3)nc2c(C)n1
InChIInChI=1S/C25H26N4O2/c1-15(2)28-9-7-18(8-10-28)19-5-6-20-12-23(31-25(30)21(20)11-19)22-14-29-13-16(3)26-17(4)24(29)27-22/h5-7,11-15H,8-10H2,1-4H3
InChIKeyCVAXFFBONNMMNT-UHFFFAOYSA-N
XLogP4.62
TPSA63.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one?
The IUPAC name of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one (CID 71679779) is 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one.
What is the SMILES notation for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one?
The canonical SMILES for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one is Cc1cn2cc(-c3cc4ccc(C5=CCN(C(C)C)CC5)cc4c(=O)o3)nc2c(C)n1.
What is the InChIKey of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one?
The InChIKey is CVAXFFBONNMMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15(2)28-9-7-18(8-10-28)19-5-6-20-12-23(31-25(30)21(20)11-19)22-14-29-13-16(3)26-17(4)24(29)27-22/h5-7,11-15H,8-10H2,1-4H3.
What are the key properties of 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one?
3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one has a molecular weight of 414.51 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-7-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)isochromen-1-one is sourced from PubChem (CID 71679779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).