[2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone

C23H25ClN8O — CID 56658691

IUPAC[2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCC(C)c1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C23H25ClN8O/c1-14(2)19-13-32-20(15-10-27-28-11-15)12-26-22(32)21(30-19)29-16-3-4-17(18(24)9-16)23(33)31-7-5-25-6-8-31/h3-4,9-14,25H,5-8H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyCRIDTGBSYCFXOB-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.69
Rot. Bonds5

About [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone

[2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 56658691) has the molecular formula C23H25ClN8O and a molecular weight of 464.96 g/mol. Its IUPAC name is [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
PubChem CID56658691
Molecular FormulaC23H25ClN8O
Molecular Weight464.96 g/mol
Exact Mass464.18
IUPAC Name[2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCC(C)c1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C23H25ClN8O/c1-14(2)19-13-32-20(15-10-27-28-11-15)12-26-22(32)21(30-19)29-16-3-4-17(18(24)9-16)23(33)31-7-5-25-6-8-31/h3-4,9-14,25H,5-8H2,1-2H3,(H,27,28)(H,29,30)
InChIKeyCRIDTGBSYCFXOB-UHFFFAOYSA-N
XLogP3.69
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (CID 56658691) is [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is CC(C)c1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is CRIDTGBSYCFXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN8O/c1-14(2)19-13-32-20(15-10-27-28-11-15)12-26-22(32)21(30-19)29-16-3-4-17(18(24)9-16)23(33)31-7-5-25-6-8-31/h3-4,9-14,25H,5-8H2,1-2H3,(H,27,28)(H,29,30).
What are the key properties of [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
[2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 464.96 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[[6-propan-2-yl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56658691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).