(4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone

C21H17FN2O2 — CID 162668771

IUPAC(4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
SMILESCOc1ccccc1[C@H]1N=Cc2cccn2[C@@H]1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c1-26-18-7-3-2-6-17(18)19-20(24-12-4-5-16(24)13-23-19)21(25)14-8-10-15(22)11-9-14/h2-13,19-20H,1H3/t19-,20+/m1/s1
InChIKeyWJAVUEJCZNCHBV-UXHICEINSA-N
MW348.38 g/mol
LogP4.23
Rot. Bonds4

About (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone

(4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone (PubChem CID 162668771) has the molecular formula C21H17FN2O2 and a molecular weight of 348.38 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
PubChem CID162668771
Molecular FormulaC21H17FN2O2
Molecular Weight348.38 g/mol
Exact Mass348.13
IUPAC Name(4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone
SMILESCOc1ccccc1[C@H]1N=Cc2cccn2[C@@H]1C(=O)c1ccc(F)cc1
InChIInChI=1S/C21H17FN2O2/c1-26-18-7-3-2-6-17(18)19-20(24-12-4-5-16(24)13-23-19)21(25)14-8-10-15(22)11-9-14/h2-13,19-20H,1H3/t19-,20+/m1/s1
InChIKeyWJAVUEJCZNCHBV-UXHICEINSA-N
XLogP4.23
TPSA43.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone (CID 162668771) is (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone is COc1ccccc1[C@H]1N=Cc2cccn2[C@@H]1C(=O)c1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
The InChIKey is WJAVUEJCZNCHBV-UXHICEINSA-N. The full InChI is InChI=1S/C21H17FN2O2/c1-26-18-7-3-2-6-17(18)19-20(24-12-4-5-16(24)13-23-19)21(25)14-8-10-15(22)11-9-14/h2-13,19-20H,1H3/t19-,20+/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone?
(4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone has a molecular weight of 348.38 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R,4S)-3-(2-methoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-4-yl]methanone is sourced from PubChem (CID 162668771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).