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

C25H24F3N7O2 — CID 139530433

IUPAC3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc34)c2C1
InChIInChI=1S/C25H24F3N7O2/c1-29-24(36)34-7-8-35-20(13-34)22(32-23(35)14-3-4-14)16-5-6-30-19-9-17(15-11-31-33(2)12-15)21(10-18(16)19)37-25(26,27)28/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,29,36)
InChIKeyIKYXDQOSZTUCJY-UHFFFAOYSA-N
MW511.51 g/mol
LogP4.43
Rot. Bonds4

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

3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 139530433) has the molecular formula C25H24F3N7O2 and a molecular weight of 511.51 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID139530433
Molecular FormulaC25H24F3N7O2
Molecular Weight511.51 g/mol
Exact Mass511.19
IUPAC Name3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc34)c2C1
InChIInChI=1S/C25H24F3N7O2/c1-29-24(36)34-7-8-35-20(13-34)22(32-23(35)14-3-4-14)16-5-6-30-19-9-17(15-11-31-33(2)12-15)21(10-18(16)19)37-25(26,27)28/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,29,36)
InChIKeyIKYXDQOSZTUCJY-UHFFFAOYSA-N
XLogP4.43
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.51
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 139530433) is 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is CNC(=O)N1CCn2c(C3CC3)nc(-c3ccnc4cc(-c5cnn(C)c5)c(OC(F)(F)F)cc34)c2C1.
What is the InChIKey of 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is IKYXDQOSZTUCJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O2/c1-29-24(36)34-7-8-35-20(13-34)22(32-23(35)14-3-4-14)16-5-6-30-19-9-17(15-11-31-33(2)12-15)21(10-18(16)19)37-25(26,27)28/h5-6,9-12,14H,3-4,7-8,13H2,1-2H3,(H,29,36).
What are the key properties of 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide?
3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 511.51 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-1-[7-(1-methylpyrazol-4-yl)-6-(trifluoromethoxy)quinolin-4-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 139530433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).