7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

C26H26ClN3O2 — CID 45162320

IUPAC7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(C2COc3ccccc3C2)n2c1CN(CC1=Cc3cc(Cl)ccc3OC1)CC2
InChIInChI=1S/C26H26ClN3O2/c1-17-23-14-29(13-18-10-20-12-22(27)6-7-25(20)31-15-18)8-9-30(23)26(28-17)21-11-19-4-2-3-5-24(19)32-16-21/h2-7,10,12,21H,8-9,11,13-16H2,1H3
InChIKeyWUSICNSSXZEFDB-UHFFFAOYSA-N
MW447.97 g/mol
LogP4.86
Rot. Bonds3

About 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine

7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (PubChem CID 45162320) has the molecular formula C26H26ClN3O2 and a molecular weight of 447.97 g/mol. Its IUPAC name is 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
PubChem CID45162320
Molecular FormulaC26H26ClN3O2
Molecular Weight447.97 g/mol
Exact Mass447.17
IUPAC Name7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine
SMILESCc1nc(C2COc3ccccc3C2)n2c1CN(CC1=Cc3cc(Cl)ccc3OC1)CC2
InChIInChI=1S/C26H26ClN3O2/c1-17-23-14-29(13-18-10-20-12-22(27)6-7-25(20)31-15-18)8-9-30(23)26(28-17)21-11-19-4-2-3-5-24(19)32-16-21/h2-7,10,12,21H,8-9,11,13-16H2,1H3
InChIKeyWUSICNSSXZEFDB-UHFFFAOYSA-N
XLogP4.86
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.97
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The IUPAC name of 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine (CID 45162320) is 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine.
What is the SMILES notation for 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The canonical SMILES for 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is Cc1nc(C2COc3ccccc3C2)n2c1CN(CC1=Cc3cc(Cl)ccc3OC1)CC2.
What is the InChIKey of 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
The InChIKey is WUSICNSSXZEFDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O2/c1-17-23-14-29(13-18-10-20-12-22(27)6-7-25(20)31-15-18)8-9-30(23)26(28-17)21-11-19-4-2-3-5-24(19)32-16-21/h2-7,10,12,21H,8-9,11,13-16H2,1H3.
What are the key properties of 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine?
7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine has a molecular weight of 447.97 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-chloro-2H-chromen-3-yl)methyl]-3-(3,4-dihydro-2H-chromen-3-yl)-1-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine is sourced from PubChem (CID 45162320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).