(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

C17H21N5O5 — CID 166623222

IUPAC(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
SMILESCN1CCN(C(=O)c2cncc(N3C[C@@]4(C(=O)O)C[C@@]4(C(=O)O)C3)n2)CC1
InChIInChI=1S/C17H21N5O5/c1-20-2-4-21(5-3-20)13(23)11-6-18-7-12(19-11)22-9-16(14(24)25)8-17(16,10-22)15(26)27/h6-7H,2-5,8-10H2,1H3,(H,24,25)(H,26,27)/t16-,17+
InChIKeyUWWMDIMBRZYQCB-CALCHBBNSA-N
MW375.39 g/mol
LogP-0.77
Rot. Bonds4

About (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid (PubChem CID 166623222) has the molecular formula C17H21N5O5 and a molecular weight of 375.39 g/mol. Its IUPAC name is (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid.

Molecular Properties

Compound Name(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
PubChem CID166623222
Molecular FormulaC17H21N5O5
Molecular Weight375.39 g/mol
Exact Mass375.15
IUPAC Name(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid
SMILESCN1CCN(C(=O)c2cncc(N3C[C@@]4(C(=O)O)C[C@@]4(C(=O)O)C3)n2)CC1
InChIInChI=1S/C17H21N5O5/c1-20-2-4-21(5-3-20)13(23)11-6-18-7-12(19-11)22-9-16(14(24)25)8-17(16,10-22)15(26)27/h6-7H,2-5,8-10H2,1H3,(H,24,25)(H,26,27)/t16-,17+
InChIKeyUWWMDIMBRZYQCB-CALCHBBNSA-N
XLogP-0.77
TPSA127.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid 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

2-ethyl-8-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-2,8-diazaspiro[4.5]decan-3-one
CID 72866242
(4-methylpiperazin-1-yl)-[6-(4-propan-2-yl-1,4-diazepan-1-yl)pyrazin-2-yl]methanone
CID 134709347
acetic acid;[6-[3a-(hydroxymethyl)-1,2,3,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 171321646
[6-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 138379040
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
N-tert-butyl-2-[4-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]acetamide
CID 134714431
[6-[(1S,5R)-9-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 155919678
[6-[(9aR)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 124814484
[6-[3-(3-methylphenoxy)azetidin-1-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 134703286
[6-[(4S,9aR)-4-propyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 154816938
[6-[(5S)-3-(methoxymethyl)-5-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 165427430
[6-[3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
CID 135116874

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
The IUPAC name of (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid (CID 166623222) is (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid.
What is the SMILES notation for (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
The canonical SMILES for (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid is CN1CCN(C(=O)c2cncc(N3C[C@@]4(C(=O)O)C[C@@]4(C(=O)O)C3)n2)CC1.
What is the InChIKey of (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
The InChIKey is UWWMDIMBRZYQCB-CALCHBBNSA-N. The full InChI is InChI=1S/C17H21N5O5/c1-20-2-4-21(5-3-20)13(23)11-6-18-7-12(19-11)22-9-16(14(24)25)8-17(16,10-22)15(26)27/h6-7H,2-5,8-10H2,1H3,(H,24,25)(H,26,27)/t16-,17+.
What are the key properties of (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid?
(1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid has a molecular weight of 375.39 g/mol, XLogP of -0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[6-(4-methylpiperazine-1-carbonyl)pyrazin-2-yl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid is sourced from PubChem (CID 166623222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).