4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid

C22H23FN4O5 — CID 66729006

IUPAC4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1nc2cnc(OCCO)cc2n1C1CCC(C(=O)O)CC1)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O5/c23-15-3-1-2-14(10-15)20(29)26-22-25-17-12-24-19(32-9-8-28)11-18(17)27(22)16-6-4-13(5-7-16)21(30)31/h1-3,10-13,16,28H,4-9H2,(H,30,31)(H,25,26,29)
InChIKeyQODIEVRJFOHDMG-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.01
Rot. Bonds7

About 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid

4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 66729006) has the molecular formula C22H23FN4O5 and a molecular weight of 442.45 g/mol. Its IUPAC name is 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid
PubChem CID66729006
Molecular FormulaC22H23FN4O5
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(Nc1nc2cnc(OCCO)cc2n1C1CCC(C(=O)O)CC1)c1cccc(F)c1
InChIInChI=1S/C22H23FN4O5/c23-15-3-1-2-14(10-15)20(29)26-22-25-17-12-24-19(32-9-8-28)11-18(17)27(22)16-6-4-13(5-7-16)21(30)31/h1-3,10-13,16,28H,4-9H2,(H,30,31)(H,25,26,29)
InChIKeyQODIEVRJFOHDMG-UHFFFAOYSA-N
XLogP3.01
TPSA126.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid (CID 66729006) is 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid is O=C(Nc1nc2cnc(OCCO)cc2n1C1CCC(C(=O)O)CC1)c1cccc(F)c1.
What is the InChIKey of 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is QODIEVRJFOHDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O5/c23-15-3-1-2-14(10-15)20(29)26-22-25-17-12-24-19(32-9-8-28)11-18(17)27(22)16-6-4-13(5-7-16)21(30)31/h1-3,10-13,16,28H,4-9H2,(H,30,31)(H,25,26,29).
What are the key properties of 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid?
4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 442.45 g/mol, XLogP of 3.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-fluorobenzoyl)amino]-6-(2-hydroxyethoxy)imidazo[4,5-c]pyridin-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 66729006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).