N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

C20H23N5O3 — CID 162887102

IUPACN-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN3C(=O)N(Cc4ccccn4)CC3C2)c1
InChIInChI=1S/C20H23N5O3/c1-28-18-7-4-6-15(11-18)22-19(26)23-9-10-25-17(13-23)14-24(20(25)27)12-16-5-2-3-8-21-16/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)
InChIKeyRXJGUYAYXRGGRA-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.24
Rot. Bonds4

About N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide

N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (PubChem CID 162887102) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
PubChem CID162887102
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
SMILESCOc1cccc(NC(=O)N2CCN3C(=O)N(Cc4ccccn4)CC3C2)c1
InChIInChI=1S/C20H23N5O3/c1-28-18-7-4-6-15(11-18)22-19(26)23-9-10-25-17(13-23)14-24(20(25)27)12-16-5-2-3-8-21-16/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26)
InChIKeyRXJGUYAYXRGGRA-UHFFFAOYSA-N
XLogP2.24
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,5R)-N-(3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72841840
(8aR)-2-(2-methoxyethyl)-3-oxo-N-phenyl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368528
N-(3-methoxyphenyl)-3-pyridin-2-yloxyazetidine-1-carboxamide
CID 122247293
N-(3-methoxyphenyl)-3-(triazol-1-yl)azetidine-1-carboxamide
CID 121154881
(8aR)-2-cyclohexyl-N-(3-methoxyphenyl)-1,3-dioxo-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 9419667
[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl]-(pyridin-2-ylmethyl)azanium
CID 7043455
(3R)-3-hydroxy-N-(3-methoxyphenyl)pyrrolidine-1-carboxamide
CID 63362733
(8aR)-N-ethyl-2-[(4-methoxyphenyl)methyl]-3-oxo-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide
CID 75368466
(8aS)-2-(3-methoxyphenyl)-1,3-dioxo-N-phenyl-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-7-carboxamide
CID 163121674
N-(5-methoxy-2-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 75523527
(7R,9aS)-N-(3-methoxyphenyl)-7-methyl-6,9-dioxo-1,3,4,7,8,9a-hexahydropyrazino[1,2-a]pyrazine-2-carboxamide
CID 163129765
N-(3-bromophenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184534

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide (CID 162887102) is N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is COc1cccc(NC(=O)N2CCN3C(=O)N(Cc4ccccn4)CC3C2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
The InChIKey is RXJGUYAYXRGGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-28-18-7-4-6-15(11-18)22-19(26)23-9-10-25-17(13-23)14-24(20(25)27)12-16-5-2-3-8-21-16/h2-8,11,17H,9-10,12-14H2,1H3,(H,22,26).
What are the key properties of N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide?
N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-3-oxo-2-(pyridin-2-ylmethyl)-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazine-7-carboxamide is sourced from PubChem (CID 162887102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).