(2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone

C19H23IN4O — CID 44582810

IUPAC(2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(C)c(CN2CCN(C(=O)c3ccccc3I)CC2)nc1C
InChIInChI=1S/C19H23IN4O/c1-13-14(2)22-18(15(3)21-13)12-23-8-10-24(11-9-23)19(25)16-6-4-5-7-17(16)20/h4-7H,8-12H2,1-3H3
InChIKeyUBEUIDJVSWHKPD-UHFFFAOYSA-N
MW450.32 g/mol
LogP2.96
Rot. Bonds3

About (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone

(2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 44582810) has the molecular formula C19H23IN4O and a molecular weight of 450.32 g/mol. Its IUPAC name is (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
PubChem CID44582810
Molecular FormulaC19H23IN4O
Molecular Weight450.32 g/mol
Exact Mass450.09
IUPAC Name(2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
SMILESCc1nc(C)c(CN2CCN(C(=O)c3ccccc3I)CC2)nc1C
InChIInChI=1S/C19H23IN4O/c1-13-14(2)22-18(15(3)21-13)12-23-8-10-24(11-9-23)19(25)16-6-4-5-7-17(16)20/h4-7H,8-12H2,1-3H3
InChIKeyUBEUIDJVSWHKPD-UHFFFAOYSA-N
XLogP2.96
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.32
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-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

Related Compounds

furan-2-yl-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone
CID 44582763
2-[4-(2-iodobenzoyl)piperazin-1-yl]acetic acid
CID 43521566
(2-iodophenyl)-[4-(pyridin-3-ylmethyl)piperazin-1-yl]methanone
CID 19572564
(2-iodophenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 95753470
[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 19323523
[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]-(2-iodophenyl)methanone
CID 55359553
2-[4-(2-iodobenzoyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 30543126
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
[4-(3-ethyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]-(2-iodophenyl)methanone
CID 133333033
[4-(2-iodobenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 108534189
N-ethyl-4-(2-iodobenzoyl)piperazine-1-carboxamide
CID 47126280
aziridin-1-yl-(3-iodo-2-methylphenyl)methanone
CID 130616512

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone (CID 44582810) is (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone is Cc1nc(C)c(CN2CCN(C(=O)c3ccccc3I)CC2)nc1C.
What is the InChIKey of (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is UBEUIDJVSWHKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23IN4O/c1-13-14(2)22-18(15(3)21-13)12-23-8-10-24(11-9-23)19(25)16-6-4-5-7-17(16)20/h4-7H,8-12H2,1-3H3.
What are the key properties of (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone?
(2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 450.32 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 44582810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).