[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone

C31H34F2N8O3 — CID 147393603

IUPAC[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C31H34F2N8O3/c1-21-19-23(5-8-25(21)29(42)38-15-17-40(18-16-38)31(43)39-13-11-37(2)12-14-39)36-27-28-35-20-26(41(28)10-9-34-27)22-3-6-24(7-4-22)44-30(32)33/h3-10,19-20,30H,11-18H2,1-2H3,(H,34,36)
InChIKeyDNJCICBWALIKOA-UHFFFAOYSA-N
MW604.66 g/mol
LogP4.17
Rot. Bonds6

About [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone

[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone (PubChem CID 147393603) has the molecular formula C31H34F2N8O3 and a molecular weight of 604.66 g/mol. Its IUPAC name is [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
PubChem CID147393603
Molecular FormulaC31H34F2N8O3
Molecular Weight604.66 g/mol
Exact Mass604.27
IUPAC Name[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C31H34F2N8O3/c1-21-19-23(5-8-25(21)29(42)38-15-17-40(18-16-38)31(43)39-13-11-37(2)12-14-39)36-27-28-35-20-26(41(28)10-9-34-27)22-3-6-24(7-4-22)44-30(32)33/h3-10,19-20,30H,11-18H2,1-2H3,(H,34,36)
InChIKeyDNJCICBWALIKOA-UHFFFAOYSA-N
XLogP4.17
TPSA98.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500604.66
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

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CID 76285528
CID 76285528
CID 118706739
CID 118706739
CID 155528377
CID 155528377
CID 155542940
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CID 16122967
CID 16122967
CID 22181322
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CID 22181344
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CID 24826656
CID 24826656

Frequently Asked Questions

What is the IUPAC name of [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone (CID 147393603) is [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone is Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
The InChIKey is DNJCICBWALIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F2N8O3/c1-21-19-23(5-8-25(21)29(42)38-15-17-40(18-16-38)31(43)39-13-11-37(2)12-14-39)36-27-28-35-20-26(41(28)10-9-34-27)22-3-6-24(7-4-22)44-30(32)33/h3-10,19-20,30H,11-18H2,1-2H3,(H,34,36).
What are the key properties of [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone?
[4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone has a molecular weight of 604.66 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-[4-(difluoromethoxy)phenyl]imidazo[1,2-a]pyrazin-8-yl]amino]-2-methylphenyl]-[4-(4-methylpiperazine-1-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 147393603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).