1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone

C23H23ClN8O2 — CID 56662332

IUPAC1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)cc2Cl)CC1
InChIInChI=1S/C23H23ClN8O2/c1-14-13-32-20(16-10-26-27-11-16)12-25-22(32)21(28-14)29-17-3-4-18(19(24)9-17)23(34)31-7-5-30(6-8-31)15(2)33/h3-4,9-13H,5-8H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOCYFBSQTNFAMNM-UHFFFAOYSA-N
MW478.94 g/mol
LogP3.13
Rot. Bonds4

About 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone

1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone (PubChem CID 56662332) has the molecular formula C23H23ClN8O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone
PubChem CID56662332
Molecular FormulaC23H23ClN8O2
Molecular Weight478.94 g/mol
Exact Mass478.16
IUPAC Name1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)cc2Cl)CC1
InChIInChI=1S/C23H23ClN8O2/c1-14-13-32-20(16-10-26-27-11-16)12-25-22(32)21(28-14)29-17-3-4-18(19(24)9-17)23(34)31-7-5-30(6-8-31)15(2)33/h3-4,9-13H,5-8H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyOCYFBSQTNFAMNM-UHFFFAOYSA-N
XLogP3.13
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone (CID 56662332) is 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(Nc3nc(C)cn4c(-c5cn[nH]c5)cnc34)cc2Cl)CC1.
What is the InChIKey of 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is OCYFBSQTNFAMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN8O2/c1-14-13-32-20(16-10-26-27-11-16)12-25-22(32)21(28-14)29-17-3-4-18(19(24)9-17)23(34)31-7-5-30(6-8-31)15(2)33/h3-4,9-13H,5-8H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone?
1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 478.94 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56662332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).