3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

C22H20N6O2 — CID 55627001

IUPAC3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCc1nc(-c2cccnc2)no1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H20N6O2/c29-20(6-5-19-26-21(27-30-19)16-3-1-9-23-13-16)28-11-7-15(8-12-28)18-14-25-22-17(18)4-2-10-24-22/h1-4,7,9-10,13-14H,5-6,8,11-12H2,(H,24,25)
InChIKeyFDIMMYKDFOHFJP-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.26
Rot. Bonds5

About 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one

3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (PubChem CID 55627001) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
PubChem CID55627001
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
SMILESO=C(CCc1nc(-c2cccnc2)no1)N1CC=C(c2c[nH]c3ncccc23)CC1
InChIInChI=1S/C22H20N6O2/c29-20(6-5-19-26-21(27-30-19)16-3-1-9-23-13-16)28-11-7-15(8-12-28)18-14-25-22-17(18)4-2-10-24-22/h1-4,7,9-10,13-14H,5-6,8,11-12H2,(H,24,25)
InChIKeyFDIMMYKDFOHFJP-UHFFFAOYSA-N
XLogP3.26
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The IUPAC name of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one (CID 55627001) is 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is O=C(CCc1nc(-c2cccnc2)no1)N1CC=C(c2c[nH]c3ncccc23)CC1.
What is the InChIKey of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
The InChIKey is FDIMMYKDFOHFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c29-20(6-5-19-26-21(27-30-19)16-3-1-9-23-13-16)28-11-7-15(8-12-28)18-14-25-22-17(18)4-2-10-24-22/h1-4,7,9-10,13-14H,5-6,8,11-12H2,(H,24,25).
What are the key properties of 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one?
3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one has a molecular weight of 400.44 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one is sourced from PubChem (CID 55627001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).