[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C21H19N5O2 — CID 97119748

IUPAC[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCn4cccc4[C@H]3c3ccccn3)n[nH]2)o1
InChIInChI=1S/C21H19N5O2/c1-14-7-8-19(28-14)16-13-17(24-23-16)21(27)26-12-11-25-10-4-6-18(25)20(26)15-5-2-3-9-22-15/h2-10,13,20H,11-12H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyOLLUZDRZPXUZFA-HXUWFJFHSA-N
MW373.42 g/mol
LogP3.42
Rot. Bonds3

About [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 97119748) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID97119748
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCc1ccc(-c2cc(C(=O)N3CCn4cccc4[C@H]3c3ccccn3)n[nH]2)o1
InChIInChI=1S/C21H19N5O2/c1-14-7-8-19(28-14)16-13-17(24-23-16)21(27)26-12-11-25-10-4-6-18(25)20(26)15-5-2-3-9-22-15/h2-10,13,20H,11-12H2,1H3,(H,23,24)/t20-/m1/s1
InChIKeyOLLUZDRZPXUZFA-HXUWFJFHSA-N
XLogP3.42
TPSA79.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 97119748) is [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is Cc1ccc(-c2cc(C(=O)N3CCn4cccc4[C@H]3c3ccccn3)n[nH]2)o1.
What is the InChIKey of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is OLLUZDRZPXUZFA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-7-8-19(28-14)16-13-17(24-23-16)21(27)26-12-11-25-10-4-6-18(25)20(26)15-5-2-3-9-22-15/h2-10,13,20H,11-12H2,1H3,(H,23,24)/t20-/m1/s1.
What are the key properties of [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 373.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-[(1S)-1-pyridin-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 97119748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).