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

C26H28FN7O2 — CID 139530356

IUPAC1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(-c5ccn(C)n5)ncc34)c2C1
InChIInChI=1S/C26H28FN7O2/c1-28-26(35)33-9-10-34-22(15-33)24(30-25(34)16-6-11-36-12-7-16)23-18-14-29-21(20-5-8-32(2)31-20)13-17(18)3-4-19(23)27/h3-5,8,13-14,16H,6-7,9-12,15H2,1-2H3,(H,28,35)
InChIKeyLSIGVFSNMSKNDV-UHFFFAOYSA-N
MW489.56 g/mol
LogP3.69
Rot. Bonds3

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

1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530356) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530356
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(-c5ccn(C)n5)ncc34)c2C1
InChIInChI=1S/C26H28FN7O2/c1-28-26(35)33-9-10-34-22(15-33)24(30-25(34)16-6-11-36-12-7-16)23-18-14-29-21(20-5-8-32(2)31-20)13-17(18)3-4-19(23)27/h3-5,8,13-14,16H,6-7,9-12,15H2,1-2H3,(H,28,35)
InChIKeyLSIGVFSNMSKNDV-UHFFFAOYSA-N
XLogP3.69
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530356) is 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CCOCC3)nc(-c3c(F)ccc4cc(-c5ccn(C)n5)ncc34)c2C1.
What is the InChIKey of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is LSIGVFSNMSKNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-28-26(35)33-9-10-34-22(15-33)24(30-25(34)16-6-11-36-12-7-16)23-18-14-29-21(20-5-8-32(2)31-20)13-17(18)3-4-19(23)27/h3-5,8,13-14,16H,6-7,9-12,15H2,1-2H3,(H,28,35).
What are the key properties of 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-fluoro-3-(1-methylpyrazol-3-yl)isoquinolin-8-yl]-N-methyl-3-(oxan-4-yl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).