4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid

C24H26N4O4 — CID 118093066

IUPAC4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccnc(Nc2cc(C)cc(-c3ccc(C4(O)CCC(C(=O)O)CC4)nc3)c2)n1
InChIInChI=1S/C24H26N4O4/c1-15-11-18(13-19(12-15)27-23-25-10-7-21(28-23)32-2)17-3-4-20(26-14-17)24(31)8-5-16(6-9-24)22(29)30/h3-4,7,10-14,16,31H,5-6,8-9H2,1-2H3,(H,29,30)(H,25,27,28)
InChIKeyIEZCPXOCEBDNKI-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.06
Rot. Bonds6

About 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid (PubChem CID 118093066) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid
PubChem CID118093066
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Name4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid
SMILESCOc1ccnc(Nc2cc(C)cc(-c3ccc(C4(O)CCC(C(=O)O)CC4)nc3)c2)n1
InChIInChI=1S/C24H26N4O4/c1-15-11-18(13-19(12-15)27-23-25-10-7-21(28-23)32-2)17-3-4-20(26-14-17)24(31)8-5-16(6-9-24)22(29)30/h3-4,7,10-14,16,31H,5-6,8-9H2,1-2H3,(H,29,30)(H,25,27,28)
InChIKeyIEZCPXOCEBDNKI-UHFFFAOYSA-N
XLogP4.06
TPSA117.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-hydroxy-4-[5-[3-[[4-(3-methoxypropoxy)pyrimidin-2-yl]amino]-5-methylphenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 67432211
3-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]propanoic acid
CID 118092858
3-hydroxy-2,2-dimethyl-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]cyclopentane-1-carboxylic acid
CID 118092624
cis-(1S,4R)-4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-1,3-thiazol-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 67431483
4-hydroxy-4-[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]cyclohexane-1-carboxylic acid
CID 90372748
3-hydroxy-3-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]pyrrolidine-1-carboxamide
CID 118093068
4-[1-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-2-pyridinyl]azetidin-3-yl]cyclohexane-1-carboxylic acid
CID 118092857
4-[1-hydroxy-1-[4-[3-methyl-5-[(4-methylpyrimidin-2-yl)amino]phenyl]phenyl]ethyl]cyclohexane-1-carboxylic acid
CID 73295144
ethyl 3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]propanoate
CID 118092663
4-hydroxy-4-[5-[3-methyl-5-[(4-methyl-2-pyridinyl)amino]phenyl]-1,3-thiazol-2-yl]cyclohexane-1-carboxylic acid
CID 86291063
3-[4-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]pyrazol-1-yl]propanamide
CID 72706872
4-hydroxy-4-[hydroxy-[5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-1,3-thiazol-2-yl]methyl]cyclohexane-1-carboxylic acid
CID 70984514

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid (CID 118093066) is 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid is COc1ccnc(Nc2cc(C)cc(-c3ccc(C4(O)CCC(C(=O)O)CC4)nc3)c2)n1.
What is the InChIKey of 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid?
The InChIKey is IEZCPXOCEBDNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-15-11-18(13-19(12-15)27-23-25-10-7-21(28-23)32-2)17-3-4-20(26-14-17)24(31)8-5-16(6-9-24)22(29)30/h3-4,7,10-14,16,31H,5-6,8-9H2,1-2H3,(H,29,30)(H,25,27,28).
What are the key properties of 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid has a molecular weight of 434.50 g/mol, XLogP of 4.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[5-[3-[(4-methoxypyrimidin-2-yl)amino]-5-methylphenyl]-2-pyridinyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118093066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).