[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone

C19H24N4O — CID 95149695

IUPAC[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H24N4O/c1-15-17-7-5-10-21(17)12-13-23(15)19(24)16-6-4-11-22(14-16)18-8-2-3-9-20-18/h2-3,5,7-10,15-16H,4,6,11-14H2,1H3/t15-,16-/m0/s1
InChIKeyMRUDMQCZSPLOJT-HOTGVXAUSA-N
MW324.43 g/mol
LogP2.70
Rot. Bonds2

About [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone

[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone (PubChem CID 95149695) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone.

Molecular Properties

Compound Name[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
PubChem CID95149695
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
SMILESC[C@H]1c2cccn2CCN1C(=O)[C@H]1CCCN(c2ccccn2)C1
InChIInChI=1S/C19H24N4O/c1-15-17-7-5-10-21(17)12-13-23(15)19(24)16-6-4-11-22(14-16)18-8-2-3-9-20-18/h2-3,5,7-10,15-16H,4,6,11-14H2,1H3/t15-,16-/m0/s1
InChIKeyMRUDMQCZSPLOJT-HOTGVXAUSA-N
XLogP2.70
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(1-pyridin-2-ylpiperidin-3-yl)methanone
CID 47884292
[(2R)-2-phenylazetidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95583542
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 95337233
N-methyl-1-pyridin-2-ylpiperidine-3-carboxamide
CID 133270598
methyl (3S)-1-pyridin-2-ylpiperidine-3-carboxylate
CID 133326705
cyclohexyl-[(2R)-2-methyl-4-pyridin-2-ylpiperazin-1-yl]methanone
CID 71682493
[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 98761419
[(3R)-1-pyridin-2-ylpiperidin-3-yl]-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 95583532
[(2R)-2-[(dimethylamino)methyl]piperidin-1-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 92606124
(1-pyrazin-2-ylpiperidin-3-yl)-(2-pyridin-2-ylpyrrolidin-1-yl)methanone
CID 56819028
(4-methylsulfonyl-1,4-diazepan-1-yl)-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 97433997
[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[(3R)-1-pyridin-2-ylpiperidin-3-yl]methanone
CID 51595974

Frequently Asked Questions

What is the IUPAC name of [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The IUPAC name of [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone (CID 95149695) is [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone.
What is the SMILES notation for [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The canonical SMILES for [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone is C[C@H]1c2cccn2CCN1C(=O)[C@H]1CCCN(c2ccccn2)C1.
What is the InChIKey of [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
The InChIKey is MRUDMQCZSPLOJT-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H24N4O/c1-15-17-7-5-10-21(17)12-13-23(15)19(24)16-6-4-11-22(14-16)18-8-2-3-9-20-18/h2-3,5,7-10,15-16H,4,6,11-14H2,1H3/t15-,16-/m0/s1.
What are the key properties of [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone?
[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[(3S)-1-pyridin-2-ylpiperidin-3-yl]methanone is sourced from PubChem (CID 95149695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).