1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol

C21H26N6O — CID 133497001

IUPAC1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol
SMILESCc1nccn1-c1cncc(N(C)CC2(O)CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C21H26N6O/c1-17-23-9-11-27(17)20-13-22-12-19(24-20)25(2)15-21(28)8-10-26(16-21)14-18-6-4-3-5-7-18/h3-7,9,11-13,28H,8,10,14-16H2,1-2H3
InChIKeyKKGLFFYYNVQNDO-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.04
Rot. Bonds6

About 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol

1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol (PubChem CID 133497001) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol
PubChem CID133497001
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol
SMILESCc1nccn1-c1cncc(N(C)CC2(O)CCN(Cc3ccccc3)C2)n1
InChIInChI=1S/C21H26N6O/c1-17-23-9-11-27(17)20-13-22-12-19(24-20)25(2)15-21(28)8-10-26(16-21)14-18-6-4-3-5-7-18/h3-7,9,11-13,28H,8,10,14-16H2,1-2H3
InChIKeyKKGLFFYYNVQNDO-UHFFFAOYSA-N
XLogP2.04
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol with MolForge

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Related Compounds

1-benzyl-3-[[(4,5-dimethylpyrimidin-2-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497177
6-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-3-chloropyridine-2-carbonitrile
CID 133497042
(3S)-1-benzyl-3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl-methylamino]methyl]pyrrolidin-3-ol
CID 124620280
4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2-methyl-1H-pyrimidin-6-one
CID 138038007
1-benzyl-3-[[(6-chloro-2-cyclopropylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497154
1-benzyl-3-[[(5,6-dimethyl-2-pyridin-4-ylpyrimidin-4-yl)-methylamino]methyl]pyrrolidin-3-ol
CID 133497130
1-benzyl-3-[[methyl-(4-methyl-5-nitro-2-pyridinyl)amino]methyl]pyrrolidin-3-ol
CID 133497056
4-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-2,6-dimethylpyridine-3-carbonitrile
CID 133497000
1-benzyl-3-[[methyl-(2-methylfuro[3,2-c]pyridin-4-yl)amino]methyl]pyrrolidin-3-ol
CID 133497039
1-benzyl-3-[[methyl-(6-nitroquinolin-2-yl)amino]methyl]pyrrolidin-3-ol
CID 133497066
1-benzyl-3-[[methyl-[4-(trifluoromethyl)-1,3-thiazol-2-yl]amino]methyl]pyrrolidin-3-ol
CID 133497002
5-[(1-benzyl-3-hydroxypyrrolidin-3-yl)methyl-methylamino]-3-chloro-1,2-thiazole-4-carbonitrile
CID 133496991

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol (CID 133497001) is 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol is Cc1nccn1-c1cncc(N(C)CC2(O)CCN(Cc3ccccc3)C2)n1.
What is the InChIKey of 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol?
The InChIKey is KKGLFFYYNVQNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-17-23-9-11-27(17)20-13-22-12-19(24-20)25(2)15-21(28)8-10-26(16-21)14-18-6-4-3-5-7-18/h3-7,9,11-13,28H,8,10,14-16H2,1-2H3.
What are the key properties of 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol?
1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol has a molecular weight of 378.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 133497001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).