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

C20H16ClFN4OS — CID 20867658

IUPACN-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H16ClFN4OS/c21-15-11-13(5-6-16(15)22)24-19(27)8-7-18-25-17-4-1-9-23-20(17)26(18)12-14-3-2-10-28-14/h1-6,9-11H,7-8,12H2,(H,24,27)
InChIKeyMZAGZFXLMNUFBO-UHFFFAOYSA-N
MW414.89 g/mol
LogP4.90
Rot. Bonds6

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

N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867658) has the molecular formula C20H16ClFN4OS and a molecular weight of 414.89 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID20867658
Molecular FormulaC20H16ClFN4OS
Molecular Weight414.89 g/mol
Exact Mass414.07
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C20H16ClFN4OS/c21-15-11-13(5-6-16(15)22)24-19(27)8-7-18-25-17-4-1-9-23-20(17)26(18)12-14-3-2-10-28-14/h1-6,9-11H,7-8,12H2,(H,24,27)
InChIKeyMZAGZFXLMNUFBO-UHFFFAOYSA-N
XLogP4.90
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867658) is N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCc1nc2cccnc2n1Cc1cccs1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is MZAGZFXLMNUFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClFN4OS/c21-15-11-13(5-6-16(15)22)24-19(27)8-7-18-25-17-4-1-9-23-20(17)26(18)12-14-3-2-10-28-14/h1-6,9-11H,7-8,12H2,(H,24,27).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 414.89 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).