[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C20H24N4O2 — CID 135116874

IUPAC[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1C1(O)CCN(c2cncc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C20H24N4O2/c1-15-6-2-3-7-16(15)20(26)8-11-24(14-20)18-13-21-12-17(22-18)19(25)23-9-4-5-10-23/h2-3,6-7,12-13,26H,4-5,8-11,14H2,1H3
InChIKeyXIZZFRFZEORGIF-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.12
Rot. Bonds3

About [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 135116874) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID135116874
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCc1ccccc1C1(O)CCN(c2cncc(C(=O)N3CCCC3)n2)C1
InChIInChI=1S/C20H24N4O2/c1-15-6-2-3-7-16(15)20(26)8-11-24(14-20)18-13-21-12-17(22-18)19(25)23-9-4-5-10-23/h2-3,6-7,12-13,26H,4-5,8-11,14H2,1H3
InChIKeyXIZZFRFZEORGIF-UHFFFAOYSA-N
XLogP2.12
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1'-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]spiro[1H-indole-3,4'-piperidine]-2-one
CID 135116488
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-(2H-triazol-4-yl)methanone
CID 56890894
2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175645650
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
N-ethyl-6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 135119211
[6-(3-methyl-3-phenylpiperidin-1-yl)pyrazin-2-yl]-morpholin-4-ylmethanone
CID 72904435
2-[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrimidin-5-yl]acetic acid
CID 97205561
[4-[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 95224033
[6-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135097694
[4-hydroxy-4-(2-methylphenyl)piperidin-1-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 16672954
2-(dimethylamino)-8-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 135100603

Frequently Asked Questions

What is the IUPAC name of [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 135116874) is [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is Cc1ccccc1C1(O)CCN(c2cncc(C(=O)N3CCCC3)n2)C1.
What is the InChIKey of [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is XIZZFRFZEORGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15-6-2-3-7-16(15)20(26)8-11-24(14-20)18-13-21-12-17(22-18)19(25)23-9-4-5-10-23/h2-3,6-7,12-13,26H,4-5,8-11,14H2,1H3.
What are the key properties of [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 352.44 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135116874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).