(3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

C17H22N4O2 — CID 97467374

IUPAC(3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1ccoc1C(=O)N1CCn2cc(CN3CCCC3)nc2C1
InChIInChI=1S/C17H22N4O2/c1-13-4-9-23-16(13)17(22)21-8-7-20-11-14(18-15(20)12-21)10-19-5-2-3-6-19/h4,9,11H,2-3,5-8,10,12H2,1H3
InChIKeyHAYHDTPEGDCBFG-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.04
Rot. Bonds3

About (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone

(3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (PubChem CID 97467374) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.

Molecular Properties

Compound Name(3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
PubChem CID97467374
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
SMILESCc1ccoc1C(=O)N1CCn2cc(CN3CCCC3)nc2C1
InChIInChI=1S/C17H22N4O2/c1-13-4-9-23-16(13)17(22)21-8-7-20-11-14(18-15(20)12-21)10-19-5-2-3-6-19/h4,9,11H,2-3,5-8,10,12H2,1H3
InChIKeyHAYHDTPEGDCBFG-UHFFFAOYSA-N
XLogP2.04
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The IUPAC name of (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone (CID 97467374) is (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone.
What is the SMILES notation for (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The canonical SMILES for (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is Cc1ccoc1C(=O)N1CCn2cc(CN3CCCC3)nc2C1.
What is the InChIKey of (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
The InChIKey is HAYHDTPEGDCBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-13-4-9-23-16(13)17(22)21-8-7-20-11-14(18-15(20)12-21)10-19-5-2-3-6-19/h4,9,11H,2-3,5-8,10,12H2,1H3.
What are the key properties of (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone?
(3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylfuran-2-yl)-[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone is sourced from PubChem (CID 97467374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).