[2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone

C22H21ClN6OS — CID 56658690

IUPAC[2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cccs3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C22H21ClN6OS/c1-14-13-29-18(19-3-2-10-31-19)12-25-21(29)20(26-14)27-15-4-5-16(17(23)11-15)22(30)28-8-6-24-7-9-28/h2-5,10-13,24H,6-9H2,1H3,(H,26,27)
InChIKeyNRMRODQKUGAUOS-UHFFFAOYSA-N
MW452.97 g/mol
LogP4.21
Rot. Bonds4

About [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone

[2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 56658690) has the molecular formula C22H21ClN6OS and a molecular weight of 452.97 g/mol. Its IUPAC name is [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
PubChem CID56658690
Molecular FormulaC22H21ClN6OS
Molecular Weight452.97 g/mol
Exact Mass452.12
IUPAC Name[2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone
SMILESCc1cn2c(-c3cccs3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C22H21ClN6OS/c1-14-13-29-18(19-3-2-10-31-19)12-25-21(29)20(26-14)27-15-4-5-16(17(23)11-15)22(30)28-8-6-24-7-9-28/h2-5,10-13,24H,6-9H2,1H3,(H,26,27)
InChIKeyNRMRODQKUGAUOS-UHFFFAOYSA-N
XLogP4.21
TPSA74.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.97
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone (CID 56658690) is [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone is Cc1cn2c(-c3cccs3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is NRMRODQKUGAUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6OS/c1-14-13-29-18(19-3-2-10-31-19)12-25-21(29)20(26-14)27-15-4-5-16(17(23)11-15)22(30)28-8-6-24-7-9-28/h2-5,10-13,24H,6-9H2,1H3,(H,26,27).
What are the key properties of [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone?
[2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 452.97 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[(6-methyl-3-thiophen-2-ylimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56658690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).