[1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

C23H26N4O2 — CID 72911144

IUPAC[1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1CCn2cccc2C1c1cccnc1
InChIInChI=1S/C23H26N4O2/c28-23(18-7-11-25(12-8-18)17-20-5-3-15-29-20)27-14-13-26-10-2-6-21(26)22(27)19-4-1-9-24-16-19/h1-6,9-10,15-16,18,22H,7-8,11-14,17H2
InChIKeyAZGCETODLOQENB-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.32
Rot. Bonds4

About [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone

[1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (PubChem CID 72911144) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.

Molecular Properties

Compound Name[1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
PubChem CID72911144
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
SMILESO=C(C1CCN(Cc2ccco2)CC1)N1CCn2cccc2C1c1cccnc1
InChIInChI=1S/C23H26N4O2/c28-23(18-7-11-25(12-8-18)17-20-5-3-15-29-20)27-14-13-26-10-2-6-21(26)22(27)19-4-1-9-24-16-19/h1-6,9-10,15-16,18,22H,7-8,11-14,17H2
InChIKeyAZGCETODLOQENB-UHFFFAOYSA-N
XLogP3.32
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone with MolForge

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Related Compounds

1-[2-oxo-2-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]ethyl]piperidine-4-carboxamide
CID 97132181
N-(4-chlorophenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carboxamide
CID 16810924
(4R)-1-(furan-2-ylmethyl)-4-[(2S)-2-pyridin-3-ylpiperidine-1-carbonyl]pyrrolidin-2-one
CID 99998905
(5-cyclohexyl-1H-pyrazol-4-yl)-[(1R)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 97131948
(1R)-N-(2,6-diethylphenyl)-1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine-2-carbothioamide
CID 7085648
[(2S,6S)-2,6-dimethylmorpholin-4-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 97147422
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(2R)-2-phenylmorpholin-4-yl]methanone
CID 97201180
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 72901707
[1-(furan-2-ylmethyl)piperidin-4-yl]-[(4R)-4-hydroxy-1,2-oxazolidin-2-yl]methanone
CID 97140501
[(4aS,8aS)-6-(furan-2-ylmethyl)-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazin-4-yl]-pyridin-3-ylmethanone
CID 98895158
[(2R)-2-butyl-2,5-dihydropyrrol-1-yl]-[1-(furan-2-ylmethyl)piperidin-4-yl]methanone
CID 95122157
3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(3R)-1-(furan-2-ylmethyl)piperidin-3-yl]methanone
CID 97281855

Frequently Asked Questions

What is the IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The IUPAC name of [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone (CID 72911144) is [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone.
What is the SMILES notation for [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The canonical SMILES for [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is O=C(C1CCN(Cc2ccco2)CC1)N1CCn2cccc2C1c1cccnc1.
What is the InChIKey of [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
The InChIKey is AZGCETODLOQENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c28-23(18-7-11-25(12-8-18)17-20-5-3-15-29-20)27-14-13-26-10-2-6-21(26)22(27)19-4-1-9-24-16-19/h1-6,9-10,15-16,18,22H,7-8,11-14,17H2.
What are the key properties of [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone?
[1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone has a molecular weight of 390.49 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(furan-2-ylmethyl)piperidin-4-yl]-(1-pyridin-3-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone is sourced from PubChem (CID 72911144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).