1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide

C18H17F3N6O2 — CID 54581169

IUPAC1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12
InChIInChI=1S/C18H17F3N6O2/c19-18(20,21)14(12-2-1-3-22-10-12)24-17(28)16-25-15(26-6-8-29-9-7-26)13-11-23-4-5-27(13)16/h1-5,10-11,14H,6-9H2,(H,24,28)
InChIKeyQDXFKAFGRSGQKQ-UHFFFAOYSA-N
MW406.37 g/mol
LogP1.99
Rot. Bonds4

About 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide

1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 54581169) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID54581169
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(NC(c1cccnc1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12
InChIInChI=1S/C18H17F3N6O2/c19-18(20,21)14(12-2-1-3-22-10-12)24-17(28)16-25-15(26-6-8-29-9-7-26)13-11-23-4-5-27(13)16/h1-5,10-11,14H,6-9H2,(H,24,28)
InChIKeyQDXFKAFGRSGQKQ-UHFFFAOYSA-N
XLogP1.99
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide (CID 54581169) is 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide is O=C(NC(c1cccnc1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12.
What is the InChIKey of 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is QDXFKAFGRSGQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c19-18(20,21)14(12-2-1-3-22-10-12)24-17(28)16-25-15(26-6-8-29-9-7-26)13-11-23-4-5-27(13)16/h1-5,10-11,14H,6-9H2,(H,24,28).
What are the key properties of 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide?
1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-(2,2,2-trifluoro-1-pyridin-3-ylethyl)imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 54581169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).