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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).