3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C77H84F2N18O5S — CID 158308400

IUPAC3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C27H30N6O2S.C26H29F2N5O2.C24H25N7O/c1-16-4-5-19-12-21(23-14-29-17(2)36-23)30-13-20(19)24(16)25-22-15-32(27(34)28-3)8-9-33(22)26(31-25)18-6-10-35-11-7-18;1-29-25(34)32-7-8-33-22(15-32)23(31-24(33)18-12-26(27,28)13-18)19-4-2-3-17-11-21(30-14-20(17)19)16-5-9-35-10-6-16;1-25-24(32)30-8-9-31-21(14-30)22(28-23(31)15-6-7-15)18-5-3-4-16-10-20(26-12-19(16)18)17-11-27-29(2)13-17/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,28,34);2-4,11,14,16,18H,5-10,12-13,15H2,1H3,(H,29,34);3-5,10-13,15H,6-9,14H2,1-2H3,(H,25,32)
InChIKeyGNJMXVITHMWIAL-UHFFFAOYSA-N
MW1411.70 g/mol
LogP13.08
Rot. Bonds9

About 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 158308400) has the molecular formula C77H84F2N18O5S and a molecular weight of 1411.70 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID158308400
Molecular FormulaC77H84F2N18O5S
Molecular Weight1411.70 g/mol
Exact Mass1410.66
IUPAC Name3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1
InChIInChI=1S/C27H30N6O2S.C26H29F2N5O2.C24H25N7O/c1-16-4-5-19-12-21(23-14-29-17(2)36-23)30-13-20(19)24(16)25-22-15-32(27(34)28-3)8-9-33(22)26(31-25)18-6-10-35-11-7-18;1-29-25(34)32-7-8-33-22(15-32)23(31-24(33)18-12-26(27,28)13-18)19-4-2-3-17-11-21(30-14-20(17)19)16-5-9-35-10-6-16;1-25-24(32)30-8-9-31-21(14-30)22(28-23(31)15-6-7-15)18-5-3-4-16-10-20(26-12-19(16)18)17-11-27-29(2)13-17/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,28,34);2-4,11,14,16,18H,5-10,12-13,15H2,1H3,(H,29,34);3-5,10-13,15H,6-9,14H2,1-2H3,(H,25,32)
InChIKeyGNJMXVITHMWIAL-UHFFFAOYSA-N
XLogP13.08
TPSA238.32 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds9
Heavy Atoms103
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001411.70
LogP ≤ 513.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Analyze 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 158308400) is 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC(F)(F)C3)nc(-c3cccc4cc(C5CCOCC5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CC3)nc(-c3cccc4cc(-c5cnn(C)c5)ncc34)c2C1.CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(C)ccc4cc(-c5cnc(C)s5)ncc34)c2C1.
What is the InChIKey of 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is GNJMXVITHMWIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N6O2S.C26H29F2N5O2.C24H25N7O/c1-16-4-5-19-12-21(23-14-29-17(2)36-23)30-13-20(19)24(16)25-22-15-32(27(34)28-3)8-9-33(22)26(31-25)18-6-10-35-11-7-18;1-29-25(34)32-7-8-33-22(15-32)23(31-24(33)18-12-26(27,28)13-18)19-4-2-3-17-11-21(30-14-20(17)19)16-5-9-35-10-6-16;1-25-24(32)30-8-9-31-21(14-30)22(28-23(31)15-6-7-15)18-5-3-4-16-10-20(26-12-19(16)18)17-11-27-29(2)13-17/h4-5,12-14,18H,6-11,15H2,1-3H3,(H,28,34);2-4,11,14,16,18H,5-10,12-13,15H2,1H3,(H,29,34);3-5,10-13,15H,6-9,14H2,1-2H3,(H,25,32).
What are the key properties of 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 1411.70 g/mol, XLogP of 13.08, 9 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-1-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[3-(oxan-4-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 158308400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).