[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

C19H22N4O2 — CID 95774764

IUPAC[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H]1c2cccn2CCN1C(=O)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C19H22N4O2/c1-14-17-8-5-11-21(17)12-13-23(14)19(25)16-7-4-6-15(20-16)18(24)22-9-2-3-10-22/h4-8,11,14H,2-3,9-10,12-13H2,1H3/t14-/m1/s1
InChIKeyZDQHZRAMRPDPLE-CQSZACIVSA-N
MW338.41 g/mol
LogP2.34
Rot. Bonds2

About [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone

[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 95774764) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID95774764
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESC[C@@H]1c2cccn2CCN1C(=O)c1cccc(C(=O)N2CCCC2)n1
InChIInChI=1S/C19H22N4O2/c1-14-17-8-5-11-21(17)12-13-23(14)19(25)16-7-4-6-15(20-16)18(24)22-9-2-3-10-22/h4-8,11,14H,2-3,9-10,12-13H2,1H3/t14-/m1/s1
InChIKeyZDQHZRAMRPDPLE-CQSZACIVSA-N
XLogP2.34
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

(5-tert-butyl-1,2-oxazol-3-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95777570
(2,4-dimethyl-1,3-thiazol-5-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 37446636
(3-amino-1H-1,2,4-triazol-5-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95398985
[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-methylphenyl)methanone
CID 37452067
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
(4-tert-butylphenyl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47022049
(4-tert-butylphenyl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 36569320
6-(piperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 43558285
(1,5-dimethylpyrazol-4-yl)-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 47025599
(4-bromo-1H-pyrrol-2-yl)-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 37448121
6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 134117115
(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 95486362

Frequently Asked Questions

What is the IUPAC name of [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone (CID 95774764) is [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is C[C@@H]1c2cccn2CCN1C(=O)c1cccc(C(=O)N2CCCC2)n1.
What is the InChIKey of [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZDQHZRAMRPDPLE-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14-17-8-5-11-21(17)12-13-23(14)19(25)16-7-4-6-15(20-16)18(24)22-9-2-3-10-22/h4-8,11,14H,2-3,9-10,12-13H2,1H3/t14-/m1/s1.
What are the key properties of [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 338.41 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbonyl]-2-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 95774764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).