3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

C23H22N6O2 — CID 55884934

IUPAC3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C23H22N6O2/c30-21(8-9-22-27-23(28-31-22)17-10-12-24-13-11-17)25-18-6-4-16(5-7-18)19-15-29-14-2-1-3-20(29)26-19/h4-7,10-13,15H,1-3,8-9,14H2,(H,25,30)
InChIKeyAOILTSFXAIJCCB-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.90
Rot. Bonds6

About 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide

3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (PubChem CID 55884934) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
PubChem CID55884934
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1
InChIInChI=1S/C23H22N6O2/c30-21(8-9-22-27-23(28-31-22)17-10-12-24-13-11-17)25-18-6-4-16(5-7-18)19-15-29-14-2-1-3-20(29)26-19/h4-7,10-13,15H,1-3,8-9,14H2,(H,25,30)
InChIKeyAOILTSFXAIJCCB-UHFFFAOYSA-N
XLogP3.90
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide
CID 30547233
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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
The IUPAC name of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide (CID 55884934) is 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is O=C(CCc1nc(-c2ccncc2)no1)Nc1ccc(-c2cn3c(n2)CCCC3)cc1.
What is the InChIKey of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
The InChIKey is AOILTSFXAIJCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c30-21(8-9-22-27-23(28-31-22)17-10-12-24-13-11-17)25-18-6-4-16(5-7-18)19-15-29-14-2-1-3-20(29)26-19/h4-7,10-13,15H,1-3,8-9,14H2,(H,25,30).
What are the key properties of 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide?
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide has a molecular weight of 414.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]propanamide is sourced from PubChem (CID 55884934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).