[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone

C17H27N3O2 — CID 124730313

IUPAC[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@@]2(CO)CC(C)C)nc1C
InChIInChI=1S/C17H27N3O2/c1-11(2)9-17(10-21)7-6-8-20(17)16(22)15-14(5)18-12(3)13(4)19-15/h11,21H,6-10H2,1-5H3/t17-/m0/s1
InChIKeyHJGHCQLCUCKCGD-KRWDZBQOSA-N
MW305.42 g/mol
LogP2.42
Rot. Bonds4

About [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone

[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone (PubChem CID 124730313) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
PubChem CID124730313
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone
SMILESCc1nc(C)c(C(=O)N2CCC[C@@]2(CO)CC(C)C)nc1C
InChIInChI=1S/C17H27N3O2/c1-11(2)9-17(10-21)7-6-8-20(17)16(22)15-14(5)18-12(3)13(4)19-15/h11,21H,6-10H2,1-5H3/t17-/m0/s1
InChIKeyHJGHCQLCUCKCGD-KRWDZBQOSA-N
XLogP2.42
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone (CID 124730313) is [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone is Cc1nc(C)c(C(=O)N2CCC[C@@]2(CO)CC(C)C)nc1C.
What is the InChIKey of [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
The InChIKey is HJGHCQLCUCKCGD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-11(2)9-17(10-21)7-6-8-20(17)16(22)15-14(5)18-12(3)13(4)19-15/h11,21H,6-10H2,1-5H3/t17-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone?
[(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone has a molecular weight of 305.42 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)-2-(2-methylpropyl)pyrrolidin-1-yl]-(3,5,6-trimethylpyrazin-2-yl)methanone is sourced from PubChem (CID 124730313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).