N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

C17H21N5O2 — CID 66932130

IUPACN-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1nc(-c2ccccc2)n2c1CNCC2
InChIInChI=1S/C17H21N5O2/c1-11(16(23)18-2)20-17(24)14-13-10-19-8-9-22(13)15(21-14)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H,18,23)(H,20,24)
InChIKeyOEVKXROYXPJJPS-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.52
Rot. Bonds4

About N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide

N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (PubChem CID 66932130) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
PubChem CID66932130
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide
SMILESCNC(=O)C(C)NC(=O)c1nc(-c2ccccc2)n2c1CNCC2
InChIInChI=1S/C17H21N5O2/c1-11(16(23)18-2)20-17(24)14-13-10-19-8-9-22(13)15(21-14)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H,18,23)(H,20,24)
InChIKeyOEVKXROYXPJJPS-UHFFFAOYSA-N
XLogP0.52
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The IUPAC name of N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide (CID 66932130) is N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide.
What is the SMILES notation for N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The canonical SMILES for N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is CNC(=O)C(C)NC(=O)c1nc(-c2ccccc2)n2c1CNCC2.
What is the InChIKey of N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
The InChIKey is OEVKXROYXPJJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-11(16(23)18-2)20-17(24)14-13-10-19-8-9-22(13)15(21-14)12-6-4-3-5-7-12/h3-7,11,19H,8-10H2,1-2H3,(H,18,23)(H,20,24).
What are the key properties of N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide?
N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.52, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylamino)-1-oxopropan-2-yl]-3-phenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-1-carboxamide is sourced from PubChem (CID 66932130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).