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

C25H25N5O3 — CID 71572385

IUPAC2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESCc1ccc2[nH]c(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)nc2n1
InChIInChI=1S/C25H25N5O3/c1-15-2-9-21-25(28-15)30-24(29-21)18-5-10-20(26-14-18)17-6-11-22(27-13-17)33-19-7-3-16(4-8-19)12-23(31)32/h2,5-6,9-11,13-14,16,19H,3-4,7-8,12H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyFNWZYYCFELRHJC-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.80
Rot. Bonds6

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

2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (PubChem CID 71572385) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
PubChem CID71572385
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESCc1ccc2[nH]c(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)nc2n1
InChIInChI=1S/C25H25N5O3/c1-15-2-9-21-25(28-15)30-24(29-21)18-5-10-20(26-14-18)17-6-11-22(27-13-17)33-19-7-3-16(4-8-19)12-23(31)32/h2,5-6,9-11,13-14,16,19H,3-4,7-8,12H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyFNWZYYCFELRHJC-UHFFFAOYSA-N
XLogP4.80
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (CID 71572385) is 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is Cc1ccc2[nH]c(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)nc2n1.
What is the InChIKey of 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The InChIKey is FNWZYYCFELRHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-2-9-21-25(28-15)30-24(29-21)18-5-10-20(26-14-18)17-6-11-22(27-13-17)33-19-7-3-16(4-8-19)12-23(31)32/h2,5-6,9-11,13-14,16,19H,3-4,7-8,12H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid has a molecular weight of 443.51 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[5-(5-methyl-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 71572385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).