[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

C19H22N6O — CID 125008542

IUPAC[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNc1nc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)cn2cccc12
InChIInChI=1S/C19H22N6O/c1-19(16-12-24-9-3-5-15(24)17(20-2)23-16)6-4-10-25(13-19)18(26)14-11-21-7-8-22-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyUVRAKBQPEBWJDN-IBGZPJMESA-N
MW350.43 g/mol
LogP2.36
Rot. Bonds3

About [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone

[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 125008542) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID125008542
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNc1nc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)cn2cccc12
InChIInChI=1S/C19H22N6O/c1-19(16-12-24-9-3-5-15(24)17(20-2)23-16)6-4-10-25(13-19)18(26)14-11-21-7-8-22-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,20,23)/t19-/m0/s1
InChIKeyUVRAKBQPEBWJDN-IBGZPJMESA-N
XLogP2.36
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone with MolForge

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Related Compounds

[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110097643
[3-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]-3-methylpiperidin-1-yl]-phenylmethanone
CID 110100245
[3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110256988
[(3S)-3-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95824182
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848569
furan-2-yl-[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]methanone
CID 97370476
[4-methyl-4-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 115304614
[(5S)-7-(pyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-2-yl]-pyridin-4-ylmethanone
CID 97370481
pyrazin-2-yl-[(5S)-1-(pyridin-3-ylmethyl)-1,9-diazaspiro[4.5]decan-9-yl]methanone
CID 97481969
ethyl 3-(2-phenylethyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241974
ethyl 3-(3-phenylpropyl)-1-(pyrazine-2-carbonyl)piperidine-3-carboxylate
CID 45241636
pyrazin-2-yl-[(5S)-2-pyrimidin-2-yl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235354

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 125008542) is [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is CNc1nc([C@@]2(C)CCCN(C(=O)c3cnccn3)C2)cn2cccc12.
What is the InChIKey of [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is UVRAKBQPEBWJDN-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N6O/c1-19(16-12-24-9-3-5-15(24)17(20-2)23-16)6-4-10-25(13-19)18(26)14-11-21-7-8-22-14/h3,5,7-9,11-12H,4,6,10,13H2,1-2H3,(H,20,23)/t19-/m0/s1.
What are the key properties of [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 350.43 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 125008542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).