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

C23H21BrN4O2 — CID 20867265

IUPACN-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)Nc3ccc(Br)cc3)nc3cccnc32)cc1
InChIInChI=1S/C23H21BrN4O2/c1-30-19-10-4-16(5-11-19)15-28-21(27-20-3-2-14-25-23(20)28)12-13-22(29)26-18-8-6-17(24)7-9-18/h2-11,14H,12-13,15H2,1H3,(H,26,29)
InChIKeyHYCLRBOERUCCFC-UHFFFAOYSA-N
MW465.35 g/mol
LogP4.82
Rot. Bonds7

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

N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867265) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID20867265
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC NameN-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESCOc1ccc(Cn2c(CCC(=O)Nc3ccc(Br)cc3)nc3cccnc32)cc1
InChIInChI=1S/C23H21BrN4O2/c1-30-19-10-4-16(5-11-19)15-28-21(27-20-3-2-14-25-23(20)28)12-13-22(29)26-18-8-6-17(24)7-9-18/h2-11,14H,12-13,15H2,1H3,(H,26,29)
InChIKeyHYCLRBOERUCCFC-UHFFFAOYSA-N
XLogP4.82
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.35
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867265) is N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is COc1ccc(Cn2c(CCC(=O)Nc3ccc(Br)cc3)nc3cccnc32)cc1.
What is the InChIKey of N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is HYCLRBOERUCCFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c1-30-19-10-4-16(5-11-19)15-28-21(27-20-3-2-14-25-23(20)28)12-13-22(29)26-18-8-6-17(24)7-9-18/h2-11,14H,12-13,15H2,1H3,(H,26,29).
What are the key properties of N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 465.35 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[3-[(4-methoxyphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).