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

C25H25N5O4 — CID 71572050

IUPAC2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESCOc1ccc2[nH]c(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)nc2n1
InChIInChI=1S/C25H25N5O4/c1-33-22-11-9-20-25(29-22)30-24(28-20)17-4-8-19(26-14-17)16-5-10-21(27-13-16)34-18-6-2-15(3-7-18)12-23(31)32/h4-5,8-11,13-15,18H,2-3,6-7,12H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyHHGMJIGYHYABBL-UHFFFAOYSA-N
MW459.51 g/mol
LogP4.50
Rot. Bonds7

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

2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (PubChem CID 71572050) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
PubChem CID71572050
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESCOc1ccc2[nH]c(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)nc2n1
InChIInChI=1S/C25H25N5O4/c1-33-22-11-9-20-25(29-22)30-24(28-20)17-4-8-19(26-14-17)16-5-10-21(27-13-16)34-18-6-2-15(3-7-18)12-23(31)32/h4-5,8-11,13-15,18H,2-3,6-7,12H2,1H3,(H,31,32)(H,28,29,30)
InChIKeyHHGMJIGYHYABBL-UHFFFAOYSA-N
XLogP4.50
TPSA123.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 54.50
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-(5-methoxy-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-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (CID 71572050) is 2-[4-[[5-[5-(5-methoxy-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-methoxy-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-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is COc1ccc2[nH]c(-c3ccc(-c4ccc(OC5CCC(CC(=O)O)CC5)nc4)nc3)nc2n1.
What is the InChIKey of 2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The InChIKey is HHGMJIGYHYABBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-33-22-11-9-20-25(29-22)30-24(28-20)17-4-8-19(26-14-17)16-5-10-21(27-13-16)34-18-6-2-15(3-7-18)12-23(31)32/h4-5,8-11,13-15,18H,2-3,6-7,12H2,1H3,(H,31,32)(H,28,29,30).
What are the key properties of 2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid has a molecular weight of 459.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-[5-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 71572050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).