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

C21H22N4O3 — CID 7589956

IUPAC(1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-5-6-17(19(14-16)28-2)23-21(26)25-13-12-24-11-3-4-18(24)20(25)15-7-9-22-10-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeySZKJJELRZQEKMN-FQEVSTJZSA-N
MW378.43 g/mol
LogP3.54
Rot. Bonds4

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

(1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 7589956) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID7589956
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)c(OC)c1
InChIInChI=1S/C21H22N4O3/c1-27-16-5-6-17(19(14-16)28-2)23-21(26)25-13-12-24-11-3-4-18(24)20(25)15-7-9-22-10-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,23,26)/t20-/m0/s1
InChIKeySZKJJELRZQEKMN-FQEVSTJZSA-N
XLogP3.54
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1R)-1-(4-bromophenyl)-N-(2,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42546461
(1R)-N-(2,4-dimethoxyphenyl)-1-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589992
N-(2-methoxyphenyl)-1-(4-methylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4060887
1-(4-chlorophenyl)-N-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810849
N-(3-methylphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810939
1-(4-methoxyphenyl)-N-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810890
1-(2,4-dimethoxyphenyl)-N-(3,4-dimethylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 43994575
(1R)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589683
1-(4-methoxyphenyl)-N-thiophen-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580555
N-(3,4-dimethylphenyl)-1-(3-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 5204845
1-(3-fluorophenyl)-N-(2-methoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4091467
N,1-bis(3,4-dimethoxyphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 18580564

Frequently Asked Questions

What is the IUPAC name of (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 7589956) is (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccncc2)c(OC)c1.
What is the InChIKey of (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is SZKJJELRZQEKMN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-27-16-5-6-17(19(14-16)28-2)23-21(26)25-13-12-24-11-3-4-18(24)20(25)15-7-9-22-10-8-15/h3-11,14,20H,12-13H2,1-2H3,(H,23,26)/t20-/m0/s1.
What are the key properties of (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 7589956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).