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

C22H24N8O2 — CID 56676047

IUPAC[2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C22H24N8O2/c1-14-13-30-18(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-3-4-17(19(9-16)32-2)22(31)29-7-5-23-6-8-29/h3-4,9-13,23H,5-8H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyJFIZOYQARFPKTF-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.23
Rot. Bonds5

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

[2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (PubChem CID 56676047) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
PubChem CID56676047
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name[2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone
SMILESCOc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)ccc1C(=O)N1CCNCC1
InChIInChI=1S/C22H24N8O2/c1-14-13-30-18(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-3-4-17(19(9-16)32-2)22(31)29-7-5-23-6-8-29/h3-4,9-13,23H,5-8H2,1-2H3,(H,25,26)(H,27,28)
InChIKeyJFIZOYQARFPKTF-UHFFFAOYSA-N
XLogP2.23
TPSA112.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The IUPAC name of [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone (CID 56676047) is [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is COc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)ccc1C(=O)N1CCNCC1.
What is the InChIKey of [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
The InChIKey is JFIZOYQARFPKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-14-13-30-18(15-10-25-26-11-15)12-24-21(30)20(27-14)28-16-3-4-17(19(9-16)32-2)22(31)29-7-5-23-6-8-29/h3-4,9-13,23H,5-8H2,1-2H3,(H,25,26)(H,27,28).
What are the key properties of [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone?
[2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone has a molecular weight of 432.49 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methoxy-4-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56676047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).