(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C25H29N3O6 — CID 42546920

IUPAC(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H29N3O6/c1-30-19-9-8-17(15-20(19)31-2)26-25(29)28-12-11-27-10-6-7-18(27)23(28)16-13-21(32-3)24(34-5)22(14-16)33-4/h6-10,13-15,23H,11-12H2,1-5H3,(H,26,29)/t23-/m0/s1
InChIKeyIXZWDFHRFJLXOT-QHCPKHFHSA-N
MW467.52 g/mol
LogP4.17
Rot. Bonds7

About (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 42546920) has the molecular formula C25H29N3O6 and a molecular weight of 467.52 g/mol. Its IUPAC name is (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID42546920
Molecular FormulaC25H29N3O6
Molecular Weight467.52 g/mol
Exact Mass467.21
IUPAC Name(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC
InChIInChI=1S/C25H29N3O6/c1-30-19-9-8-17(15-20(19)31-2)26-25(29)28-12-11-27-10-6-7-18(27)23(28)16-13-21(32-3)24(34-5)22(14-16)33-4/h6-10,13-15,23H,11-12H2,1-5H3,(H,26,29)/t23-/m0/s1
InChIKeyIXZWDFHRFJLXOT-QHCPKHFHSA-N
XLogP4.17
TPSA83.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N,1-bis(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580564
N-phenyl-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16803453
N-(3,4-dichlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16813031
(1S)-N-(3-chlorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546854
(1R)-N-(3,4-dichlorophenyl)-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546563
1-(2,5-dimethoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580576
1-benzyl-N-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 20965123
(1S)-1-(2,4-dichlorophenyl)-N-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546533
N-(4-fluorophenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 3365228
N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3425391
N-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 5204845
(1S)-N-benzyl-1-(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387592

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 42546920) is (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC.
What is the InChIKey of (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is IXZWDFHRFJLXOT-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H29N3O6/c1-30-19-9-8-17(15-20(19)31-2)26-25(29)28-12-11-27-10-6-7-18(27)23(28)16-13-21(32-3)24(34-5)22(14-16)33-4/h6-10,13-15,23H,11-12H2,1-5H3,(H,26,29)/t23-/m0/s1.
What are the key properties of (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 467.52 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(3,4-dimethoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 42546920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).