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

C21H19ClN8O2 — CID 56682675

IUPAC4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)n1
InChIInChI=1S/C21H19ClN8O2/c1-12-10-30-17(13-7-25-26-8-13)9-24-20(30)19(27-12)28-14-2-3-15(16(22)6-14)21(32)29-5-4-23-18(31)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,23,31)(H,25,26)(H,27,28)
InChIKeySOSOLYMLXUWXON-UHFFFAOYSA-N
MW450.89 g/mol
LogP2.40
Rot. Bonds4

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

4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one (PubChem CID 56682675) has the molecular formula C21H19ClN8O2 and a molecular weight of 450.89 g/mol. Its IUPAC name is 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one.

Molecular Properties

Compound Name4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one
PubChem CID56682675
Molecular FormulaC21H19ClN8O2
Molecular Weight450.89 g/mol
Exact Mass450.13
IUPAC Name4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)n1
InChIInChI=1S/C21H19ClN8O2/c1-12-10-30-17(13-7-25-26-8-13)9-24-20(30)19(27-12)28-14-2-3-15(16(22)6-14)21(32)29-5-4-23-18(31)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,23,31)(H,25,26)(H,27,28)
InChIKeySOSOLYMLXUWXON-UHFFFAOYSA-N
XLogP2.40
TPSA120.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.89
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one?
The IUPAC name of 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one (CID 56682675) is 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one.
What is the SMILES notation for 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one?
The canonical SMILES for 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNC(=O)C3)c(Cl)c2)n1.
What is the InChIKey of 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one?
The InChIKey is SOSOLYMLXUWXON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN8O2/c1-12-10-30-17(13-7-25-26-8-13)9-24-20(30)19(27-12)28-14-2-3-15(16(22)6-14)21(32)29-5-4-23-18(31)11-29/h2-3,6-10H,4-5,11H2,1H3,(H,23,31)(H,25,26)(H,27,28).
What are the key properties of 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one?
4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one has a molecular weight of 450.89 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]benzoyl]piperazin-2-one is sourced from PubChem (CID 56682675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).