2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid

C27H24FN7O2 — CID 56960937

IUPAC2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc(-c4nc5nc(-c6nn[nH]n6)ccc5[nH]4)c(F)c3)cc2)CC1
InChIInChI=1S/C27H24FN7O2/c28-21-14-19(18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-24(36)37)9-10-20(21)25-29-22-11-12-23(30-26(22)31-25)27-32-34-35-33-27/h5-12,14-16H,1-4,13H2,(H,36,37)(H,29,30,31)(H,32,33,34,35)
InChIKeyCWZSJYFASZOVAD-UHFFFAOYSA-N
MW497.53 g/mol
LogP5.36
Rot. Bonds6

About 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid

2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid (PubChem CID 56960937) has the molecular formula C27H24FN7O2 and a molecular weight of 497.53 g/mol. Its IUPAC name is 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid
PubChem CID56960937
Molecular FormulaC27H24FN7O2
Molecular Weight497.53 g/mol
Exact Mass497.20
IUPAC Name2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid
SMILESO=C(O)CC1CCC(c2ccc(-c3ccc(-c4nc5nc(-c6nn[nH]n6)ccc5[nH]4)c(F)c3)cc2)CC1
InChIInChI=1S/C27H24FN7O2/c28-21-14-19(18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-24(36)37)9-10-20(21)25-29-22-11-12-23(30-26(22)31-25)27-32-34-35-33-27/h5-12,14-16H,1-4,13H2,(H,36,37)(H,29,30,31)(H,32,33,34,35)
InChIKeyCWZSJYFASZOVAD-UHFFFAOYSA-N
XLogP5.36
TPSA133.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.53
LogP ≤ 55.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid?
The IUPAC name of 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid (CID 56960937) is 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid is O=C(O)CC1CCC(c2ccc(-c3ccc(-c4nc5nc(-c6nn[nH]n6)ccc5[nH]4)c(F)c3)cc2)CC1.
What is the InChIKey of 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid?
The InChIKey is CWZSJYFASZOVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O2/c28-21-14-19(18-7-5-17(6-8-18)16-3-1-15(2-4-16)13-24(36)37)9-10-20(21)25-29-22-11-12-23(30-26(22)31-25)27-32-34-35-33-27/h5-12,14-16H,1-4,13H2,(H,36,37)(H,29,30,31)(H,32,33,34,35).
What are the key properties of 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid?
2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid has a molecular weight of 497.53 g/mol, XLogP of 5.36, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[3-fluoro-4-[5-(2H-tetrazol-5-yl)-1H-imidazo[4,5-b]pyridin-2-yl]phenyl]phenyl]cyclohexyl]acetic acid is sourced from PubChem (CID 56960937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).