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

C18H17F3N6O2 — CID 54583160

IUPAC1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12
InChIInChI=1S/C18H17F3N6O2/c19-18(20,21)14(12-3-1-2-4-23-12)24-17(28)16-25-15(26-7-9-29-10-8-26)13-11-22-5-6-27(13)16/h1-6,11,14H,7-10H2,(H,24,28)/t14-/m1/s1
InChIKeyQHPGFWKRMZAINM-CQSZACIVSA-N
MW406.37 g/mol
LogP1.99
Rot. Bonds4

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

1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide (PubChem CID 54583160) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound Name1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide
PubChem CID54583160
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide
SMILESO=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12
InChIInChI=1S/C18H17F3N6O2/c19-18(20,21)14(12-3-1-2-4-23-12)24-17(28)16-25-15(26-7-9-29-10-8-26)13-11-22-5-6-27(13)16/h1-6,11,14H,7-10H2,(H,24,28)/t14-/m1/s1
InChIKeyQHPGFWKRMZAINM-CQSZACIVSA-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-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of 1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide (CID 54583160) is 1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for 1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for 1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide is O=C(N[C@H](c1ccccn1)C(F)(F)F)c1nc(N2CCOCC2)c2cnccn12.
What is the InChIKey of 1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is QHPGFWKRMZAINM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c19-18(20,21)14(12-3-1-2-4-23-12)24-17(28)16-25-15(26-7-9-29-10-8-26)13-11-22-5-6-27(13)16/h1-6,11,14H,7-10H2,(H,24,28)/t14-/m1/s1.
What are the key properties of 1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide?
1-morpholin-4-yl-N-[(1R)-2,2,2-trifluoro-1-pyridin-2-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-[(1R)-2,2,2-trifluoro-1-pyridin-2-ylethyl]imidazo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 54583160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).