3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide

C24H35ClF3N7O3 — CID 143284101

IUPAC3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESCC/C(=C/C(F)(F)F)C(=O)N1CCC(N2CCN(c3nc(N)c(C(=O)NCCO)nc3Cl)CC2CC)CC1
InChIInChI=1S/C24H35ClF3N7O3/c1-3-15(13-24(26,27)28)23(38)33-8-5-17(6-9-33)35-11-10-34(14-16(35)4-2)21-19(25)31-18(20(29)32-21)22(37)30-7-12-36/h13,16-17,36H,3-12,14H2,1-2H3,(H2,29,32)(H,30,37)/b15-13-
InChIKeyJLCRHVWPARZNAV-SQFISAMPSA-N
MW562.04 g/mol
LogP2.22
Rot. Bonds8

About 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide

3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide (PubChem CID 143284101) has the molecular formula C24H35ClF3N7O3 and a molecular weight of 562.04 g/mol. Its IUPAC name is 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
PubChem CID143284101
Molecular FormulaC24H35ClF3N7O3
Molecular Weight562.04 g/mol
Exact Mass561.24
IUPAC Name3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide
SMILESCC/C(=C/C(F)(F)F)C(=O)N1CCC(N2CCN(c3nc(N)c(C(=O)NCCO)nc3Cl)CC2CC)CC1
InChIInChI=1S/C24H35ClF3N7O3/c1-3-15(13-24(26,27)28)23(38)33-8-5-17(6-9-33)35-11-10-34(14-16(35)4-2)21-19(25)31-18(20(29)32-21)22(37)30-7-12-36/h13,16-17,36H,3-12,14H2,1-2H3,(H2,29,32)(H,30,37)/b15-13-
InChIKeyJLCRHVWPARZNAV-SQFISAMPSA-N
XLogP2.22
TPSA127.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500562.04
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide 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 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide (CID 143284101) is 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide is CC/C(=C/C(F)(F)F)C(=O)N1CCC(N2CCN(c3nc(N)c(C(=O)NCCO)nc3Cl)CC2CC)CC1.
What is the InChIKey of 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
The InChIKey is JLCRHVWPARZNAV-SQFISAMPSA-N. The full InChI is InChI=1S/C24H35ClF3N7O3/c1-3-15(13-24(26,27)28)23(38)33-8-5-17(6-9-33)35-11-10-34(14-16(35)4-2)21-19(25)31-18(20(29)32-21)22(37)30-7-12-36/h13,16-17,36H,3-12,14H2,1-2H3,(H2,29,32)(H,30,37)/b15-13-.
What are the key properties of 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide?
3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide has a molecular weight of 562.04 g/mol, XLogP of 2.22, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-chloro-5-[3-ethyl-4-[1-[(Z)-2-ethyl-4,4,4-trifluorobut-2-enoyl]piperidin-4-yl]piperazin-1-yl]-N-(2-hydroxyethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 143284101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).