N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C20H26ClN3O3 — CID 22510478

IUPACN-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCCC1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C20H26ClN3O3/c1-5-6-16-17-8-7-13(2)23(17)9-10-24(16)20(25)22-15-11-14(21)18(26-3)12-19(15)27-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,22,25)
InChIKeyZUMHULYLUFYIDG-UHFFFAOYSA-N
MW391.90 g/mol
LogP4.86
Rot. Bonds5

About N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 22510478) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID22510478
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC NameN-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCCCC1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)c(OC)cc1OC
InChIInChI=1S/C20H26ClN3O3/c1-5-6-16-17-8-7-13(2)23(17)9-10-24(16)20(25)22-15-11-14(21)18(26-3)12-19(15)27-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,22,25)
InChIKeyZUMHULYLUFYIDG-UHFFFAOYSA-N
XLogP4.86
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[(1R)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
CID 92703543
N-(2-ethylphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510469
(1R)-N-(3-methoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703545
(1R)-N-(3-chloro-4-fluorophenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703589
ethyl 4-[[(1S)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]amino]benzoate
CID 92703552
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 51855965
(1S)-1-ethyl-6-methyl-N-(3-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 92703590
2-butyl-N-(5-chloro-2-methoxyphenyl)-4-methyl-3-oxopiperazine-1-carboxamide
CID 70767118
N-(4-ethoxyphenyl)-1-ethyl-6-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 22510383
N-(2-chloro-4-methylphenyl)-6-methyl-1-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965216
N-(5-chloro-2,4-dimethoxyphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 23934669
N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 47001680

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 22510478) is N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is CCCC1c2ccc(C)n2CCN1C(=O)Nc1cc(Cl)c(OC)cc1OC.
What is the InChIKey of N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is ZUMHULYLUFYIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-5-6-16-17-8-7-13(2)23(17)9-10-24(16)20(25)22-15-11-14(21)18(26-3)12-19(15)27-4/h7-8,11-12,16H,5-6,9-10H2,1-4H3,(H,22,25).
What are the key properties of N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 391.90 g/mol, XLogP of 4.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2,4-dimethoxyphenyl)-6-methyl-1-propyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 22510478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).