2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid

C26H28N4O2 — CID 66836770

IUPAC2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid
SMILESCc1ccc2[nH]c(C3=CN=C(c4ccc(C5CCC(CC(=O)O)CC5)cc4)CC3)nc2n1
InChIInChI=1S/C26H28N4O2/c1-16-2-12-23-26(28-16)30-25(29-23)21-11-13-22(27-15-21)20-9-7-19(8-10-20)18-5-3-17(4-6-18)14-24(31)32/h2,7-10,12,15,17-18H,3-6,11,13-14H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyPQFAHEBTFWQBNA-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.64
Rot. Bonds5

About 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid (PubChem CID 66836770) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid
PubChem CID66836770
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid
SMILESCc1ccc2[nH]c(C3=CN=C(c4ccc(C5CCC(CC(=O)O)CC5)cc4)CC3)nc2n1
InChIInChI=1S/C26H28N4O2/c1-16-2-12-23-26(28-16)30-25(29-23)21-11-13-22(27-15-21)20-9-7-19(8-10-20)18-5-3-17(4-6-18)14-24(31)32/h2,7-10,12,15,17-18H,3-6,11,13-14H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyPQFAHEBTFWQBNA-UHFFFAOYSA-N
XLogP5.64
TPSA91.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]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-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid (CID 66836770) is 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid is Cc1ccc2[nH]c(C3=CN=C(c4ccc(C5CCC(CC(=O)O)CC5)cc4)CC3)nc2n1.
What is the InChIKey of 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid?
The InChIKey is PQFAHEBTFWQBNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-16-2-12-23-26(28-16)30-25(29-23)21-11-13-22(27-15-21)20-9-7-19(8-10-20)18-5-3-17(4-6-18)14-24(31)32/h2,7-10,12,15,17-18H,3-6,11,13-14H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid has a molecular weight of 428.54 g/mol, XLogP of 5.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-3,4-dihydropyridin-2-yl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 66836770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).