(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C19H21N3OS — CID 124909588

IUPAC(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(COC[C@H]2CN(Cc3cccs3)Cc3cccn32)nc1
InChIInChI=1S/C19H21N3OS/c1-2-8-20-16(5-1)14-23-15-18-12-21(13-19-7-4-10-24-19)11-17-6-3-9-22(17)18/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyRCXVPVTWBGVGPL-GOSISDBHSA-N
MW339.46 g/mol
LogP3.72
Rot. Bonds6

About (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 124909588) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID124909588
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESc1ccc(COC[C@H]2CN(Cc3cccs3)Cc3cccn32)nc1
InChIInChI=1S/C19H21N3OS/c1-2-8-20-16(5-1)14-23-15-18-12-21(13-19-7-4-10-24-19)11-17-6-3-9-22(17)18/h1-10,18H,11-15H2/t18-/m1/s1
InChIKeyRCXVPVTWBGVGPL-GOSISDBHSA-N
XLogP3.72
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(7R)-7-(pyridin-2-ylmethoxy)-5-(thiophen-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 124909624
3-(pyridin-2-ylmethoxymethyl)-8-(thiophen-2-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 131645218
1-pyrrolidin-1-yl-2-[[7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]ethanone
CID 131658018
(4aS,8aS)-4a-(pyridin-2-ylmethoxymethyl)-6-(thiophen-2-ylmethyl)-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridine
CID 97364156
(7R)-7-(pyridin-2-ylmethoxymethyl)-5-(pyridin-4-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 97463588
(7R)-5-(oxan-4-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911085
2-[[(7S)-1-methyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl]methyl]-1,3-thiazole
CID 97383406
4-(pyridin-3-ylmethoxy)-2-(thiophen-2-ylmethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 131650570
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(thiophen-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790492
5-(furan-3-ylmethyl)-7-(pyridin-2-ylmethoxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131642580
(7R)-5-cyclobutyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911912
N,N-dimethyl-2-[[2-[(4-methyl-1,3-thiazol-5-yl)methyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-4-yl]methoxy]acetamide
CID 133139431

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 124909588) is (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is c1ccc(COC[C@H]2CN(Cc3cccs3)Cc3cccn32)nc1.
What is the InChIKey of (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is RCXVPVTWBGVGPL-GOSISDBHSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-2-8-20-16(5-1)14-23-15-18-12-21(13-19-7-4-10-24-19)11-17-6-3-9-22(17)18/h1-10,18H,11-15H2/t18-/m1/s1.
What are the key properties of (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
(4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 339.46 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(pyridin-2-ylmethoxymethyl)-2-(thiophen-2-ylmethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 124909588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).