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

C25H28FN5O2 — CID 139530320

IUPAC3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C25H28FN5O2/c1-27-25(32)30-8-9-31-21(14-30)23(29-24(31)16-2-3-16)22-18-13-28-20(15-6-10-33-11-7-15)12-17(18)4-5-19(22)26/h4-5,12-13,15-16H,2-3,6-11,14H2,1H3,(H,27,32)
InChIKeyWYCRVNRWLRMASC-UHFFFAOYSA-N
MW449.53 g/mol
LogP4.16
Rot. Bonds3

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

3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530320) has the molecular formula C25H28FN5O2 and a molecular weight of 449.53 g/mol. Its IUPAC name is 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530320
Molecular FormulaC25H28FN5O2
Molecular Weight449.53 g/mol
Exact Mass449.22
IUPAC Name3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(C5CCOCC5)ncc34)c2C1
InChIInChI=1S/C25H28FN5O2/c1-27-25(32)30-8-9-31-21(14-30)23(29-24(31)16-2-3-16)22-18-13-28-20(15-6-10-33-11-7-15)12-17(18)4-5-19(22)26/h4-5,12-13,15-16H,2-3,6-11,14H2,1H3,(H,27,32)
InChIKeyWYCRVNRWLRMASC-UHFFFAOYSA-N
XLogP4.16
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.53
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530320) is 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3)nc(-c3c(F)ccc4cc(C5CCOCC5)ncc34)c2C1.
What is the InChIKey of 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is WYCRVNRWLRMASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN5O2/c1-27-25(32)30-8-9-31-21(14-30)23(29-24(31)16-2-3-16)22-18-13-28-20(15-6-10-33-11-7-15)12-17(18)4-5-19(22)26/h4-5,12-13,15-16H,2-3,6-11,14H2,1H3,(H,27,32).
What are the key properties of 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 449.53 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-[7-fluoro-3-(oxan-4-yl)isoquinolin-8-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).