N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

C16H19F3N6O3 — CID 118744980

IUPACN-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)N1CCn2c(Cn3cccn3)cnc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N6O.C2HF3O2/c21-14(17-11-2-3-11)18-6-7-20-12(8-15-13(20)10-18)9-19-5-1-4-16-19;3-2(4,5)1(6)7/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,21);(H,6,7)
InChIKeyPIZHGXGRZGBLNJ-UHFFFAOYSA-N
MW400.36 g/mol
LogP1.45
Rot. Bonds3

About N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid

N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118744980) has the molecular formula C16H19F3N6O3 and a molecular weight of 400.36 g/mol. Its IUPAC name is N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118744980
Molecular FormulaC16H19F3N6O3
Molecular Weight400.36 g/mol
Exact Mass400.15
IUPAC NameN-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(NC1CC1)N1CCn2c(Cn3cccn3)cnc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C14H18N6O.C2HF3O2/c21-14(17-11-2-3-11)18-6-7-20-12(8-15-13(20)10-18)9-19-5-1-4-16-19;3-2(4,5)1(6)7/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,21);(H,6,7)
InChIKeyPIZHGXGRZGBLNJ-UHFFFAOYSA-N
XLogP1.45
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid (CID 118744980) is N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC1CC1)N1CCn2c(Cn3cccn3)cnc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is PIZHGXGRZGBLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.C2HF3O2/c21-14(17-11-2-3-11)18-6-7-20-12(8-15-13(20)10-18)9-19-5-1-4-16-19;3-2(4,5)1(6)7/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,17,21);(H,6,7).
What are the key properties of N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid?
N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 400.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118744980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).