3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

C24H24F3N7O3S — CID 139530339

IUPAC3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3csc4cc(-c5cnn(C)c5)ncc34)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N7OS.C2HF3O2/c1-23-22(30)28-5-6-29-18(11-28)20(26-21(29)13-3-4-13)16-12-31-19-7-17(24-9-15(16)19)14-8-25-27(2)10-14;3-2(4,5)1(6)7/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,30);(H,6,7)
InChIKeyHFCSNVCEPYBCAK-UHFFFAOYSA-N
MW547.56 g/mol
LogP4.23
Rot. Bonds3

About 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 139530339) has the molecular formula C24H24F3N7O3S and a molecular weight of 547.56 g/mol. Its IUPAC name is 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID139530339
Molecular FormulaC24H24F3N7O3S
Molecular Weight547.56 g/mol
Exact Mass547.16
IUPAC Name3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESCNC(=O)N1CCn2c(C3CC3)nc(-c3csc4cc(-c5cnn(C)c5)ncc34)c2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C22H23N7OS.C2HF3O2/c1-23-22(30)28-5-6-29-18(11-28)20(26-21(29)13-3-4-13)16-12-31-19-7-17(24-9-15(16)19)14-8-25-27(2)10-14;3-2(4,5)1(6)7/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,30);(H,6,7)
InChIKeyHFCSNVCEPYBCAK-UHFFFAOYSA-N
XLogP4.23
TPSA118.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.56
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 139530339) is 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is CNC(=O)N1CCn2c(C3CC3)nc(-c3csc4cc(-c5cnn(C)c5)ncc34)c2C1.O=C(O)C(F)(F)F.
What is the InChIKey of 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is HFCSNVCEPYBCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7OS.C2HF3O2/c1-23-22(30)28-5-6-29-18(11-28)20(26-21(29)13-3-4-13)16-12-31-19-7-17(24-9-15(16)19)14-8-25-27(2)10-14;3-2(4,5)1(6)7/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,30);(H,6,7).
What are the key properties of 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 547.56 g/mol, XLogP of 4.23, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-methyl-1-[6-(1-methylpyrazol-4-yl)thieno[3,2-c]pyridin-3-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 139530339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).