[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone

C22H20N6O2 — CID 83275715

IUPAC[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C22H20N6O2/c1-27-18-9-12-28(22(29)16-7-10-23-11-8-16)14-17(18)20(25-27)21-24-19(26-30-21)13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3
InChIKeyOQRVLASIVHKEBV-UHFFFAOYSA-N
MW400.44 g/mol
LogP2.65
Rot. Bonds4

About [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone

[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone (PubChem CID 83275715) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone.

Molecular Properties

Compound Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone
PubChem CID83275715
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone
SMILESCn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccncc1)C2
InChIInChI=1S/C22H20N6O2/c1-27-18-9-12-28(22(29)16-7-10-23-11-8-16)14-17(18)20(25-27)21-24-19(26-30-21)13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3
InChIKeyOQRVLASIVHKEBV-UHFFFAOYSA-N
XLogP2.65
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

5Pam523
CID 46946406
1,2,4-Oxadiazole-3-methanamine, 5-[1-(phenylmethyl)-1H-indazol-3-yl]-
CID 22239024
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CID 56848641
5-[4-[1-(5-Pyridazin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848643
5-[5-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56945090
5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine
CID 66828300
N-Ethyl-N-{2-[5-(5-fluoropyridin-2-yl)-1,2,4-oxadiazol-3-yl]ethyl}-5-methyl-2-(2H-1,2,3-triazol-2-yl)benzamide
CID 71007308
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-(triazol-2-yl)pyridine-2-carboxamide
CID 72699855
N-ethyl-N-[(2S)-1-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-6-methyl-3-pyrimidin-2-ylpyridine-2-carboxamide
CID 72700096
N-ethyl-5-fluoro-N-[(2S)-1-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(triazol-2-yl)benzamide
CID 72700366
3-ethyl-5-[5-(1-ethyl-5-phenylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]-6-methyl-1H-pyridin-2-one
CID 136147416
(5-(1-(3-Methylbenzyl)-1H-indazol-3-yl)-1,2,4-oxadiazol-3-yl)methanamine
CID 42637062

Frequently Asked Questions

What is the IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The IUPAC name of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone (CID 83275715) is [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone.
What is the SMILES notation for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The canonical SMILES for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone is Cn1nc(-c2nc(Cc3ccccc3)no2)c2c1CCN(C(=O)c1ccncc1)C2.
What is the InChIKey of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone?
The InChIKey is OQRVLASIVHKEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c1-27-18-9-12-28(22(29)16-7-10-23-11-8-16)14-17(18)20(25-27)21-24-19(26-30-21)13-15-5-3-2-4-6-15/h2-8,10-11H,9,12-14H2,1H3.
What are the key properties of [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone?
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone has a molecular weight of 400.44 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-benzyl-1,2,4-oxadiazol-5-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyridin-4-ylmethanone is sourced from PubChem (CID 83275715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).