[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone

C22H23ClN8O — CID 56658843

IUPAC[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)n1
InChIInChI=1S/C22H23ClN8O/c1-14-13-31-19(15-10-25-26-11-15)12-24-21(31)20(27-14)28-16-3-4-17(18(23)9-16)22(32)30-7-5-29(2)6-8-30/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyIUNPJGYYFGSTCM-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.21
Rot. Bonds4

About [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone

[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 56658843) has the molecular formula C22H23ClN8O and a molecular weight of 450.93 g/mol. Its IUPAC name is [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID56658843
Molecular FormulaC22H23ClN8O
Molecular Weight450.93 g/mol
Exact Mass450.17
IUPAC Name[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)n1
InChIInChI=1S/C22H23ClN8O/c1-14-13-31-19(15-10-25-26-11-15)12-24-21(31)20(27-14)28-16-3-4-17(18(23)9-16)22(32)30-7-5-29(2)6-8-30/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyIUNPJGYYFGSTCM-UHFFFAOYSA-N
XLogP3.21
TPSA94.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone (CID 56658843) is [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone is Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCN(C)CC3)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is IUNPJGYYFGSTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8O/c1-14-13-31-19(15-10-25-26-11-15)12-24-21(31)20(27-14)28-16-3-4-17(18(23)9-16)22(32)30-7-5-29(2)6-8-30/h3-4,9-13H,5-8H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of [2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone?
[2-chloro-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 450.93 g/mol, XLogP of 3.21, 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-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 56658843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).