(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide

C21H22N4O — CID 95762685

IUPAC(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccncc1
InChIInChI=1S/C21H22N4O/c1-16(17-9-11-22-12-10-17)23-21(26)25-15-14-24-13-5-8-19(24)20(25)18-6-3-2-4-7-18/h2-13,16,20H,14-15H2,1H3,(H,23,26)/t16-,20+/m0/s1
InChIKeyPIWTUHIFSKQCEJ-OXJNMPFZSA-N
MW346.43 g/mol
LogP3.76
Rot. Bonds3

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

(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (PubChem CID 95762685) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
PubChem CID95762685
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccncc1
InChIInChI=1S/C21H22N4O/c1-16(17-9-11-22-12-10-17)23-21(26)25-15-14-24-13-5-8-19(24)20(25)18-6-3-2-4-7-18/h2-13,16,20H,14-15H2,1H3,(H,23,26)/t16-,20+/m0/s1
InChIKeyPIWTUHIFSKQCEJ-OXJNMPFZSA-N
XLogP3.76
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 4136305
N-(3-methylphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810939
N-(4-methylphenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 3258959
(1S)-N-(3,4-dichlorophenyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7387321
1-(2-methylphenyl)-N-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 42812236
(1R)-N-(2-chloro-3-pyridinyl)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 95163655
N-(2,6-dichlorophenyl)-1-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 4113838
(1S)-N-(2,4-dimethoxyphenyl)-1-pyridin-4-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 7589956
(1S)-N-methyl-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7136142
3-[3-oxo-3-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)propyl]pyrimidin-4-one
CID 146128915
1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)butan-1-one
CID 110647019
2-(ethylamino)-1-(1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanone
CID 42797975

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide (CID 95762685) is (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is C[C@H](NC(=O)N1CCn2cccc2[C@H]1c1ccccc1)c1ccncc1.
What is the InChIKey of (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
The InChIKey is PIWTUHIFSKQCEJ-OXJNMPFZSA-N. The full InChI is InChI=1S/C21H22N4O/c1-16(17-9-11-22-12-10-17)23-21(26)25-15-14-24-13-5-8-19(24)20(25)18-6-3-2-4-7-18/h2-13,16,20H,14-15H2,1H3,(H,23,26)/t16-,20+/m0/s1.
What are the key properties of (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide?
(1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 95762685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).