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

C19H18N4O2S — CID 20867596

IUPACN-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)NCc1ccco1
InChIInChI=1S/C19H18N4O2S/c24-18(21-12-14-4-2-10-25-14)8-7-17-22-16-6-1-9-20-19(16)23(17)13-15-5-3-11-26-15/h1-6,9-11H,7-8,12-13H2,(H,21,24)
InChIKeyVEBWMSPIFNFRQU-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.38
Rot. Bonds7

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

N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (PubChem CID 20867596) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
PubChem CID20867596
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide
SMILESO=C(CCc1nc2cccnc2n1Cc1cccs1)NCc1ccco1
InChIInChI=1S/C19H18N4O2S/c24-18(21-12-14-4-2-10-25-14)8-7-17-22-16-6-1-9-20-19(16)23(17)13-15-5-3-11-26-15/h1-6,9-11H,7-8,12-13H2,(H,21,24)
InChIKeyVEBWMSPIFNFRQU-UHFFFAOYSA-N
XLogP3.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.38
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-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide (CID 20867596) is N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is O=C(CCc1nc2cccnc2n1Cc1cccs1)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
The InChIKey is VEBWMSPIFNFRQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c24-18(21-12-14-4-2-10-25-14)8-7-17-22-16-6-1-9-20-19(16)23(17)13-15-5-3-11-26-15/h1-6,9-11H,7-8,12-13H2,(H,21,24).
What are the key properties of N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide?
N-(furan-2-ylmethyl)-3-[3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide has a molecular weight of 366.45 g/mol, XLogP of 3.38, 7 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-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propanamide is sourced from PubChem (CID 20867596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).