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

C18H20N6O — CID 110097643

IUPAC[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNc1nc(C2CCCCN2C(=O)c2cnccn2)cn2cccc12
InChIInChI=1S/C18H20N6O/c1-19-17-16-6-4-9-23(16)12-14(22-17)15-5-2-3-10-24(15)18(25)13-11-20-7-8-21-13/h4,6-9,11-12,15H,2-3,5,10H2,1H3,(H,19,22)
InChIKeyLPPGWJACIXPTPG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.53
Rot. Bonds3

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

[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (PubChem CID 110097643) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
PubChem CID110097643
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
SMILESCNc1nc(C2CCCCN2C(=O)c2cnccn2)cn2cccc12
InChIInChI=1S/C18H20N6O/c1-19-17-16-6-4-9-23(16)12-14(22-17)15-5-2-3-10-24(15)18(25)13-11-20-7-8-21-13/h4,6-9,11-12,15H,2-3,5,10H2,1H3,(H,19,22)
InChIKeyLPPGWJACIXPTPG-UHFFFAOYSA-N
XLogP2.53
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-fluorophenyl)-[(2S)-2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]pyrrolidin-1-yl]methanone
CID 124963279
[(2R)-2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 125024124
[(3S)-3-methyl-3-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 125008542
[2-[6-[(4-fluorophenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 110254532
pyrazin-2-yl-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124992078
[2-[1-(dimethylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 110098694
[(2R)-2-(7-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124971823
tert-butyl 2-[1-[(5-methyl-1,3-thiazol-2-yl)amino]pyrrolo[1,2-a]pyrazin-3-yl]piperidine-1-carboxylate
CID 155985601
3-[6-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-2-pyridinyl]propanoic acid
CID 110258258
pyrazin-2-yl-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 24631463
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]methanone
CID 124983474
[(2S)-2-[6-(2-propan-2-ylimidazol-1-yl)-2-pyridinyl]pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 95839096

Frequently Asked Questions

What is the IUPAC name of [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The IUPAC name of [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone (CID 110097643) is [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone.
What is the SMILES notation for [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The canonical SMILES for [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is CNc1nc(C2CCCCN2C(=O)c2cnccn2)cn2cccc12.
What is the InChIKey of [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
The InChIKey is LPPGWJACIXPTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-19-17-16-6-4-9-23(16)12-14(22-17)15-5-2-3-10-24(15)18(25)13-11-20-7-8-21-13/h4,6-9,11-12,15H,2-3,5,10H2,1H3,(H,19,22).
What are the key properties of [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone?
[2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone has a molecular weight of 336.40 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(methylamino)pyrrolo[1,2-a]pyrazin-3-yl]piperidin-1-yl]-pyrazin-2-ylmethanone is sourced from PubChem (CID 110097643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).