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

C24H22ClN5O3 — CID 71572387

IUPAC2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2ccc(-c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C24H22ClN5O3/c25-17-10-20-24(28-13-17)30-23(29-20)16-3-7-19(26-12-16)15-4-8-21(27-11-15)33-18-5-1-14(2-6-18)9-22(31)32/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,31,32)(H,28,29,30)
InChIKeySYELHBOQFOZOTM-UHFFFAOYSA-N
MW463.93 g/mol
LogP5.15
Rot. Bonds6

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

2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (PubChem CID 71572387) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is 2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
PubChem CID71572387
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(Oc2ccc(-c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)cn2)CC1
InChIInChI=1S/C24H22ClN5O3/c25-17-10-20-24(28-13-17)30-23(29-20)16-3-7-19(26-12-16)15-4-8-21(27-11-15)33-18-5-1-14(2-6-18)9-22(31)32/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,31,32)(H,28,29,30)
InChIKeySYELHBOQFOZOTM-UHFFFAOYSA-N
XLogP5.15
TPSA113.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.93
LogP ≤ 55.15
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-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid (CID 71572387) is 2-[4-[[5-[5-(6-chloro-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-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is O=C(O)CC1CCC(Oc2ccc(-c3ccc(-c4nc5ncc(Cl)cc5[nH]4)cn3)cn2)CC1.
What is the InChIKey of 2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
The InChIKey is SYELHBOQFOZOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c25-17-10-20-24(28-13-17)30-23(29-20)16-3-7-19(26-12-16)15-4-8-21(27-11-15)33-18-5-1-14(2-6-18)9-22(31)32/h3-4,7-8,10-14,18H,1-2,5-6,9H2,(H,31,32)(H,28,29,30).
What are the key properties of 2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid?
2-[4-[[5-[5-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid has a molecular weight of 463.93 g/mol, XLogP of 5.15, 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-(6-chloro-1H-imidazo[4,5-b]pyridin-2-yl)-2-pyridinyl]-2-pyridinyl]oxy]cyclohexyl]acetic acid is sourced from PubChem (CID 71572387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).