N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C24H23FN4O2 — CID 122445526

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-16(18-6-8-19(25)9-7-18)27-23(31)13-12-22-28-21-3-2-14-26-24(21)29(22)15-17-4-10-20(30)11-5-17/h2-11,14,16,30H,12-13,15H2,1H3,(H,27,31)/t16-/m0/s1
InChIKeyUDISKFGSDUJMGC-INIZCTEOSA-N
MW418.47 g/mol
LogP4.13
Rot. Bonds7

About N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122445526) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID122445526
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESC[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(O)cc1)c1ccc(F)cc1
InChIInChI=1S/C24H23FN4O2/c1-16(18-6-8-19(25)9-7-18)27-23(31)13-12-22-28-21-3-2-14-26-24(21)29(22)15-17-4-10-20(30)11-5-17/h2-11,14,16,30H,12-13,15H2,1H3,(H,27,31)/t16-/m0/s1
InChIKeyUDISKFGSDUJMGC-INIZCTEOSA-N
XLogP4.13
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 122445526) is N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is C[C@H](NC(=O)CCc1nc2cccnc2n1Cc1ccc(O)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is UDISKFGSDUJMGC-INIZCTEOSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-16(18-6-8-19(25)9-7-18)27-23(31)13-12-22-28-21-3-2-14-26-24(21)29(22)15-17-4-10-20(30)11-5-17/h2-11,14,16,30H,12-13,15H2,1H3,(H,27,31)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 418.47 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[3-[(4-hydroxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).