2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid

C23H24N4O2 — CID 69106878

IUPAC2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc(Nc4cnccn4)cn3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(29)13-16-1-3-17(4-2-16)18-5-7-19(8-6-18)21-10-9-20(14-26-21)27-22-15-24-11-12-25-22/h5-12,14-17H,1-4,13H2,(H,25,27)(H,28,29)
InChIKeyHMRKBIWHOXSFRE-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.03
Rot. Bonds6

About 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid (PubChem CID 69106878) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
PubChem CID69106878
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc(Nc4cnccn4)cn3)cc2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(29)13-16-1-3-17(4-2-16)18-5-7-19(8-6-18)21-10-9-20(14-26-21)27-22-15-24-11-12-25-22/h5-12,14-17H,1-4,13H2,(H,25,27)(H,28,29)
InChIKeyHMRKBIWHOXSFRE-UHFFFAOYSA-N
XLogP5.03
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-pyrazin-2-ylphenyl)cyclohexyl]acetic acid
CID 69054880
2-[4-[4-[5-(1H-indol-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 141352799
ethane;5-methyl-N-[6-[4-[4-(2-methylprop-2-enyl)cyclohexyl]phenyl]-3-pyridinyl]pyridin-2-amine
CID 143571661
2-[4-[4-[5-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 118030645
2-[4-[4-[[3-[(5-bromopyrazin-2-yl)amino]-1H-pyrazole-5-carbonyl]amino]phenyl]cyclohexyl]acetic acid
CID 87801003
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]cyclohexyl]acetyl]oxyoxane-2-carboxylic acid
CID 119026208
methyl 2-[4-[4-[5-[(5-cyclopropyl-1,2-oxazole-4-carbonyl)amino]-2-pyridinyl]phenyl]cyclohexyl]acetate
CID 24937147
2-[4-[4-[5-[6-(cyanomethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 56960661
2-[4-[4-[5-[6-(2-methylpyrazol-3-yl)-1H-benzimidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 56961238
2-[4-[4-[5-(6-chloro-1H-benzimidazol-2-yl)pyrazin-2-yl]phenyl]cyclohexyl]acetic acid
CID 56959505
2-[4-[4-[6-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]pyridazin-3-yl]phenyl]cyclohexyl]acetic acid
CID 66615753
2-[4-[4-[5-[4-prop-1-en-2-yl-5-[(E)-2-(1,3-thiazol-5-yl)prop-1-enyl]-1H-imidazol-2-yl]-2-pyridinyl]phenyl]cyclohexyl]acetic acid
CID 123545289

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid (CID 69106878) is 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3ccc(Nc4cnccn4)cn3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
The InChIKey is HMRKBIWHOXSFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(29)13-16-1-3-17(4-2-16)18-5-7-19(8-6-18)21-10-9-20(14-26-21)27-22-15-24-11-12-25-22/h5-12,14-17H,1-4,13H2,(H,25,27)(H,28,29).
What are the key properties of 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid has a molecular weight of 388.47 g/mol, XLogP of 5.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(pyrazin-2-ylamino)-2-pyridinyl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 69106878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).