N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

C24H23FN4O2 — CID 122445601

IUPACN-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3cccc(F)c3)nc3cccnc32)cc1
InChIInChI=1S/C24H23FN4O2/c1-31-20-9-7-17(8-10-20)16-29-22(28-21-6-3-13-26-24(21)29)11-12-23(30)27-15-18-4-2-5-19(25)14-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30)
InChIKeyXTKNTASSHKSNON-UHFFFAOYSA-N
MW418.47 g/mol
LogP3.88
Rot. Bonds8

About N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide

N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 122445601) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID122445601
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3cccc(F)c3)nc3cccnc32)cc1
InChIInChI=1S/C24H23FN4O2/c1-31-20-9-7-17(8-10-20)16-29-22(28-21-6-3-13-26-24(21)29)11-12-23(30)27-15-18-4-2-5-19(25)14-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30)
InChIKeyXTKNTASSHKSNON-UHFFFAOYSA-N
XLogP3.88
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.47
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 122445601) is N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is COc1ccc(Cn2c(CCC(=O)NCc3cccc(F)c3)nc3cccnc32)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is XTKNTASSHKSNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-31-20-9-7-17(8-10-20)16-29-22(28-21-6-3-13-26-24(21)29)11-12-23(30)27-15-18-4-2-5-19(25)14-18/h2-10,13-14H,11-12,15-16H2,1H3,(H,27,30).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 418.47 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 122445601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).