N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C25H31N3O2 — CID 4183119

IUPACN-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1cccc(C2c3cccn3CCN2C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C25H31N3O2/c1-30-21-5-2-4-20(13-21)23-22-6-3-7-27(22)8-9-28(23)24(29)26-25-14-17-10-18(15-25)12-19(11-17)16-25/h2-7,13,17-19,23H,8-12,14-16H2,1H3,(H,26,29)
InChIKeyCSUKMDGLZLKYPU-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.58
Rot. Bonds3

About N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 4183119) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID4183119
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1cccc(C2c3cccn3CCN2C(=O)NC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C25H31N3O2/c1-30-21-5-2-4-20(13-21)23-22-6-3-7-27(22)8-9-28(23)24(29)26-25-14-17-10-18(15-25)12-19(11-17)16-25/h2-7,13,17-19,23H,8-12,14-16H2,1H3,(H,26,29)
InChIKeyCSUKMDGLZLKYPU-UHFFFAOYSA-N
XLogP4.58
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 5204845
1-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]nonan-1-one
CID 4057626
N-(2-methoxyethyl)-2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]acetamide
CID 42669684
(1R)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589683
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
(1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589956
1-(4-methoxyphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580555
1-(3-fluorophenyl)-N-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4091467
(1R)-1-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546461
N-(1-adamantyl)-4-[(3-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 17374929
N,1-bis(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580564
4-bromo-N-[2-[1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3505089

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 4183119) is N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1cccc(C2c3cccn3CCN2C(=O)NC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is CSUKMDGLZLKYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-30-21-5-2-4-20(13-21)23-22-6-3-7-27(22)8-9-28(23)24(29)26-25-14-17-10-18(15-25)12-19(11-17)16-25/h2-7,13,17-19,23H,8-12,14-16H2,1H3,(H,26,29).
What are the key properties of N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 4183119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).