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

C20H17BrN4OS — CID 20867636

IUPACN-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1cccc(Br)c1
InChIInChI=1S/C20H17BrN4OS/c21-14-4-1-5-15(12-14)23-19(26)9-8-18-24-17-7-2-10-22-20(17)25(18)13-16-6-3-11-27-16/h1-7,10-12H,8-9,13H2,(H,23,26)
InChIKeyXZZPAAWSHNEJBE-UHFFFAOYSA-N
MW441.35 g/mol
LogP4.87
Rot. Bonds6

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

N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867636) has the molecular formula C20H17BrN4OS and a molecular weight of 441.35 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID20867636
Molecular FormulaC20H17BrN4OS
Molecular Weight441.35 g/mol
Exact Mass440.03
IUPAC NameN-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1cccc(Br)c1
InChIInChI=1S/C20H17BrN4OS/c21-14-4-1-5-15(12-14)23-19(26)9-8-18-24-17-7-2-10-22-20(17)25(18)13-16-6-3-11-27-16/h1-7,10-12H,8-9,13H2,(H,23,26)
InChIKeyXZZPAAWSHNEJBE-UHFFFAOYSA-N
XLogP4.87
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.35
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867636) is N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is XZZPAAWSHNEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN4OS/c21-14-4-1-5-15(12-14)23-19(26)9-8-18-24-17-7-2-10-22-20(17)25(18)13-16-6-3-11-27-16/h1-7,10-12H,8-9,13H2,(H,23,26).
What are the key properties of N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 441.35 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).