2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid

C26H24N6O3 — CID 71572839

IUPAC2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESCc1cc(-c2ccc(OC3CCC(CC(=O)O)CC3)nc2)ncc1-c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C26H24N6O3/c1-15-8-21(28-14-20(15)25-31-22-9-17(11-27)12-30-26(22)32-25)18-4-7-23(29-13-18)35-19-5-2-16(3-6-19)10-24(33)34/h4,7-9,12-14,16,19H,2-3,5-6,10H2,1H3,(H,33,34)(H,30,31,32)
InChIKeyLOAPTVRUCNMIJB-UHFFFAOYSA-N
MW468.52 g/mol
LogP4.67
Rot. Bonds6

About 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid

2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (PubChem CID 71572839) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
PubChem CID71572839
Molecular FormulaC26H24N6O3
Molecular Weight468.52 g/mol
Exact Mass468.19
IUPAC Name2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESCc1cc(-c2ccc(OC3CCC(CC(=O)O)CC3)nc2)ncc1-c1nc2ncc(C#N)cc2[nH]1
InChIInChI=1S/C26H24N6O3/c1-15-8-21(28-14-20(15)25-31-22-9-17(11-27)12-30-26(22)32-25)18-4-7-23(29-13-18)35-19-5-2-16(3-6-19)10-24(33)34/h4,7-9,12-14,16,19H,2-3,5-6,10H2,1H3,(H,33,34)(H,30,31,32)
InChIKeyLOAPTVRUCNMIJB-UHFFFAOYSA-N
XLogP4.67
TPSA137.67 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (CID 71572839) is 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is Cc1cc(-c2ccc(OC3CCC(CC(=O)O)CC3)nc2)ncc1-c1nc2ncc(C#N)cc2[nH]1.
What is the InChIKey of 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The InChIKey is LOAPTVRUCNMIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c1-15-8-21(28-14-20(15)25-31-22-9-17(11-27)12-30-26(22)32-25)18-4-7-23(29-13-18)35-19-5-2-16(3-6-19)10-24(33)34/h4,7-9,12-14,16,19H,2-3,5-6,10H2,1H3,(H,33,34)(H,30,31,32).
What are the key properties of 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid has a molecular weight of 468.52 g/mol, XLogP of 4.67, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[5-(6-cyano-1H-imidazo[4,5-b]pyridin-2-yl)-4-methyl-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 71572839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).