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

C22H23ClN8O — CID 56682548

IUPAC[2-chloro-4-[[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29)
InChIKeyFRJOVFNLSNXELB-UHFFFAOYSA-N
MW450.93 g/mol
LogP3.12
Rot. Bonds5

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

[2-chloro-4-[[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 56682548) has the molecular formula C22H23ClN8O and a molecular weight of 450.93 g/mol. Its IUPAC name is [2-chloro-4-[[6-ethyl-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-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
PubChem CID56682548
Molecular FormulaC22H23ClN8O
Molecular Weight450.93 g/mol
Exact Mass450.17
IUPAC Name[2-chloro-4-[[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1
InChIInChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29)
InChIKeyFRJOVFNLSNXELB-UHFFFAOYSA-N
XLogP3.12
TPSA103.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.93
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[[6-ethyl-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-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (CID 56682548) is [2-chloro-4-[[6-ethyl-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-ethyl-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-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is CCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1.
What is the InChIKey of [2-chloro-4-[[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is FRJOVFNLSNXELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN8O/c1-2-15-13-31-19(14-10-26-27-11-14)12-25-21(31)20(28-15)29-16-3-4-17(18(23)9-16)22(32)30-7-5-24-6-8-30/h3-4,9-13,24H,2,5-8H2,1H3,(H,26,27)(H,28,29).
What are the key properties of [2-chloro-4-[[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
[2-chloro-4-[[6-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 450.93 g/mol, XLogP of 3.12, 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-ethyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56682548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).