3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

C25H26FN7O — CID 139530517

IUPAC3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(-c5cn(C)nc5C)ncc34)c2C1
InChIInChI=1S/C25H26FN7O/c1-14-18(12-31(3)30-14)20-10-16-6-7-19(26)22(17(16)11-28-20)23-21-13-32(25(34)27-2)8-9-33(21)24(29-23)15-4-5-15/h6-7,10-12,15H,4-5,8-9,13H2,1-3H3,(H,27,34)
InChIKeyORUJYOLVIPHMHG-UHFFFAOYSA-N
MW459.53 g/mol
LogP3.98
Rot. Bonds3

About 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide

3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530517) has the molecular formula C25H26FN7O and a molecular weight of 459.53 g/mol. Its IUPAC name is 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530517
Molecular FormulaC25H26FN7O
Molecular Weight459.53 g/mol
Exact Mass459.22
IUPAC Name3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(-c5cn(C)nc5C)ncc34)c2C1
InChIInChI=1S/C25H26FN7O/c1-14-18(12-31(3)30-14)20-10-16-6-7-19(26)22(17(16)11-28-20)23-21-13-32(25(34)27-2)8-9-33(21)24(29-23)15-4-5-15/h6-7,10-12,15H,4-5,8-9,13H2,1-3H3,(H,27,34)
InChIKeyORUJYOLVIPHMHG-UHFFFAOYSA-N
XLogP3.98
TPSA80.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530517) is 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(-c5cn(C)nc5C)ncc34)c2C1.
What is the InChIKey of 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is ORUJYOLVIPHMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN7O/c1-14-18(12-31(3)30-14)20-10-16-6-7-19(26)22(17(16)11-28-20)23-21-13-32(25(34)27-2)8-9-33(21)24(29-23)15-4-5-15/h6-7,10-12,15H,4-5,8-9,13H2,1-3H3,(H,27,34).
What are the key properties of 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 459.53 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[3-(1,3-dimethylpyrazol-4-yl)-7-fluoroisoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).