3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C27H32F2N6O2 — CID 139530298

IUPAC3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H32F2N6O2/c1-30-26(36)34-9-10-35-22(17-34)24(32-25(35)18-5-7-27(28,29)8-6-18)20-4-2-3-19-15-23(31-16-21(19)20)33-11-13-37-14-12-33/h2-4,15-16,18H,5-14,17H2,1H3,(H,30,36)
InChIKeyUNATYTFINFTQBA-UHFFFAOYSA-N
MW510.59 g/mol
LogP4.38
Rot. Bonds3

About 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530298) has the molecular formula C27H32F2N6O2 and a molecular weight of 510.59 g/mol. Its IUPAC name is 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530298
Molecular FormulaC27H32F2N6O2
Molecular Weight510.59 g/mol
Exact Mass510.26
IUPAC Name3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1
InChIInChI=1S/C27H32F2N6O2/c1-30-26(36)34-9-10-35-22(17-34)24(32-25(35)18-5-7-27(28,29)8-6-18)20-4-2-3-19-15-23(31-16-21(19)20)33-11-13-37-14-12-33/h2-4,15-16,18H,5-14,17H2,1H3,(H,30,36)
InChIKeyUNATYTFINFTQBA-UHFFFAOYSA-N
XLogP4.38
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.59
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530298) is 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCC(F)(F)CC3)nc(-c3cccc4cc(N5CCOCC5)ncc34)c2C1.
What is the InChIKey of 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is UNATYTFINFTQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6O2/c1-30-26(36)34-9-10-35-22(17-34)24(32-25(35)18-5-7-27(28,29)8-6-18)20-4-2-3-19-15-23(31-16-21(19)20)33-11-13-37-14-12-33/h2-4,15-16,18H,5-14,17H2,1H3,(H,30,36).
What are the key properties of 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 510.59 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluorocyclohexyl)-N-methyl-1-(3-morpholin-4-ylisoquinolin-8-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).