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

C22H22N4O3 — CID 3244773

IUPACN-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3ccco3)nc3cccnc32)cc1
InChIInChI=1S/C22H22N4O3/c1-28-17-8-6-16(7-9-17)15-26-20(25-19-5-2-12-23-22(19)26)10-11-21(27)24-14-18-4-3-13-29-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,27)
InChIKeyYLWMKFSHPQVQLE-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.33
Rot. Bonds8

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

N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 3244773) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID3244773
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)NCc3ccco3)nc3cccnc32)cc1
InChIInChI=1S/C22H22N4O3/c1-28-17-8-6-16(7-9-17)15-26-20(25-19-5-2-12-23-22(19)26)10-11-21(27)24-14-18-4-3-13-29-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,27)
InChIKeyYLWMKFSHPQVQLE-UHFFFAOYSA-N
XLogP3.33
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 3244773) is N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is COc1ccc(Cn2c(CCC(=O)NCc3ccco3)nc3cccnc32)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is YLWMKFSHPQVQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-28-17-8-6-16(7-9-17)15-26-20(25-19-5-2-12-23-22(19)26)10-11-21(27)24-14-18-4-3-13-29-18/h2-9,12-13H,10-11,14-15H2,1H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 390.44 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 3244773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).