potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate

C27H25F2KN4O3 — CID 140680550

IUPACpotassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate
SMILESCc1nc2ccc(-c3cnc(C4CCC(C(=O)[O-])CC4)cn3)cn2c1Cc1ccccc1OC(F)F.[K+]
InChIInChI=1S/C27H26F2N4O3.K/c1-16-23(12-19-4-2-3-5-24(19)36-27(28)29)33-15-20(10-11-25(33)32-16)22-14-30-21(13-31-22)17-6-8-18(9-7-17)26(34)35;/h2-5,10-11,13-15,17-18,27H,6-9,12H2,1H3,(H,34,35);/q;+1/p-1
InChIKeyXVNOGGSZNFSBLA-UHFFFAOYSA-M
MW530.62 g/mol
LogP1.32
Rot. Bonds7

About potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate

potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate (PubChem CID 140680550) has the molecular formula C27H25F2KN4O3 and a molecular weight of 530.62 g/mol. Its IUPAC name is potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namepotassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate
PubChem CID140680550
Molecular FormulaC27H25F2KN4O3
Molecular Weight530.62 g/mol
Exact Mass530.15
IUPAC Namepotassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate
SMILESCc1nc2ccc(-c3cnc(C4CCC(C(=O)[O-])CC4)cn3)cn2c1Cc1ccccc1OC(F)F.[K+]
InChIInChI=1S/C27H26F2N4O3.K/c1-16-23(12-19-4-2-3-5-24(19)36-27(28)29)33-15-20(10-11-25(33)32-16)22-14-30-21(13-31-22)17-6-8-18(9-7-17)26(34)35;/h2-5,10-11,13-15,17-18,27H,6-9,12H2,1H3,(H,34,35);/q;+1/p-1
InChIKeyXVNOGGSZNFSBLA-UHFFFAOYSA-M
XLogP1.32
TPSA92.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.62
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate?
The IUPAC name of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate (CID 140680550) is potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate?
The canonical SMILES for potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate is Cc1nc2ccc(-c3cnc(C4CCC(C(=O)[O-])CC4)cn3)cn2c1Cc1ccccc1OC(F)F.[K+].
What is the InChIKey of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate?
The InChIKey is XVNOGGSZNFSBLA-UHFFFAOYSA-M. The full InChI is InChI=1S/C27H26F2N4O3.K/c1-16-23(12-19-4-2-3-5-24(19)36-27(28)29)33-15-20(10-11-25(33)32-16)22-14-30-21(13-31-22)17-6-8-18(9-7-17)26(34)35;/h2-5,10-11,13-15,17-18,27H,6-9,12H2,1H3,(H,34,35);/q;+1/p-1.
What are the key properties of potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate?
potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate has a molecular weight of 530.62 g/mol, XLogP of 1.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-[5-[3-[[2-(difluoromethoxy)phenyl]methyl]-2-methylimidazo[1,2-a]pyridin-6-yl]pyrazin-2-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 140680550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).