[6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C23H30FN5O — CID 156875179

IUPAC[6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](c1ccc(F)cc1)c1nc(C(=O)N2CCCC2)cnc1NCCN1CCCC1
InChIInChI=1S/C23H30FN5O/c1-17(18-6-8-19(24)9-7-18)21-22(25-10-15-28-11-2-3-12-28)26-16-20(27-21)23(30)29-13-4-5-14-29/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyJOTZVBWJRFOQMD-QGZVFWFLSA-N
MW411.53 g/mol
LogP3.51
Rot. Bonds7

About [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 156875179) has the molecular formula C23H30FN5O and a molecular weight of 411.53 g/mol. Its IUPAC name is [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID156875179
Molecular FormulaC23H30FN5O
Molecular Weight411.53 g/mol
Exact Mass411.24
IUPAC Name[6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](c1ccc(F)cc1)c1nc(C(=O)N2CCCC2)cnc1NCCN1CCCC1
InChIInChI=1S/C23H30FN5O/c1-17(18-6-8-19(24)9-7-18)21-22(25-10-15-28-11-2-3-12-28)26-16-20(27-21)23(30)29-13-4-5-14-29/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,26)/t17-/m1/s1
InChIKeyJOTZVBWJRFOQMD-QGZVFWFLSA-N
XLogP3.51
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone with MolForge

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

Launch Full Analysis

Related Compounds

6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxylic acid
CID 156875118
6-[1-(4-fluorophenyl)ethyl]-N-(2-hydroxypropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
CID 156875180
6-[1-(4-fluorophenyl)ethyl]-N-methyl-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 166772550
3-[1-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 156875455
3-[1-(4-fluorophenyl)ethyl]-5-(5-methyl-1,3-thiazol-2-yl)-N-(2-pyrrolidin-1-ylethyl)pyrazin-2-amine
CID 156875257
6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(2-oxopropyl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
CID 156875353
N-[2-(azetidin-1-yl)ethyl]-6-[(1R)-1-(4-fluorophenyl)ethyl]-3-methyl-1,2,4-triazin-5-amine
CID 156875320
6-[1-(4-fluorophenyl)ethyl]-3-methyl-N-(oxan-4-yl)-5-(2-pyrrolidin-1-ylethylamino)pyrazine-2-carboxamide
CID 156875329
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109181785
[5-(2-morpholin-4-ylethylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182540
5-[(4-fluorophenyl)methylamino]-6-propan-2-ylpyrazine-2-carboxylic acid
CID 177322894
[5-(3-methylbutylamino)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109182598

Frequently Asked Questions

What is the IUPAC name of [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 156875179) is [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is C[C@H](c1ccc(F)cc1)c1nc(C(=O)N2CCCC2)cnc1NCCN1CCCC1.
What is the InChIKey of [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is JOTZVBWJRFOQMD-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H30FN5O/c1-17(18-6-8-19(24)9-7-18)21-22(25-10-15-28-11-2-3-12-28)26-16-20(27-21)23(30)29-13-4-5-14-29/h6-9,16-17H,2-5,10-15H2,1H3,(H,25,26)/t17-/m1/s1.
What are the key properties of [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 411.53 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1R)-1-(4-fluorophenyl)ethyl]-5-(2-pyrrolidin-1-ylethylamino)pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 156875179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).