(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

C21H21N5O3 — CID 72878224

IUPAC(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1nc2c(cc1C(=O)N1CCC[C@H]1c1nc(-c3ccccn3)no1)CCC2
InChIInChI=1S/C21H21N5O3/c1-28-19-14(12-13-6-4-8-15(13)23-19)21(27)26-11-5-9-17(26)20-24-18(25-29-20)16-7-2-3-10-22-16/h2-3,7,10,12,17H,4-6,8-9,11H2,1H3/t17-/m0/s1
InChIKeyAAWMKLOECHQDSO-KRWDZBQOSA-N
MW391.43 g/mol
LogP3.00
Rot. Bonds4

About (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (PubChem CID 72878224) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
PubChem CID72878224
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC Name(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
SMILESCOc1nc2c(cc1C(=O)N1CCC[C@H]1c1nc(-c3ccccn3)no1)CCC2
InChIInChI=1S/C21H21N5O3/c1-28-19-14(12-13-6-4-8-15(13)23-19)21(27)26-11-5-9-17(26)20-24-18(25-29-20)16-7-2-3-10-22-16/h2-3,7,10,12,17H,4-6,8-9,11H2,1H3/t17-/m0/s1
InChIKeyAAWMKLOECHQDSO-KRWDZBQOSA-N
XLogP3.00
TPSA94.24 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]methanone
CID 95862321
pyrazolo[1,5-a]pyrimidin-3-yl-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70725693
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]methanone
CID 72896225
5-methoxy-2-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carbonyl]pyran-4-one
CID 97201209
(2,4-dimethyl-1,3-thiazol-5-yl)-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70783533
1H-indol-6-yl-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone
CID 70707410
2-(N-methylanilino)-1-[(2R)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 97125511
[(3R)-1-(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonyl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97121545
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-(4-methyl-2-phenylpiperazin-1-yl)methanone
CID 72939151
(2-methoxyphenyl)-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]methanone
CID 53039319
[(2R)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 813034
2-(2,4-difluorophenyl)-1-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 96580293

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone (CID 72878224) is (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is COc1nc2c(cc1C(=O)N1CCC[C@H]1c1nc(-c3ccccn3)no1)CCC2.
What is the InChIKey of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AAWMKLOECHQDSO-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-28-19-14(12-13-6-4-8-15(13)23-19)21(27)26-11-5-9-17(26)20-24-18(25-29-20)16-7-2-3-10-22-16/h2-3,7,10,12,17H,4-6,8-9,11H2,1H3/t17-/m0/s1.
What are the key properties of (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone?
(2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone has a molecular weight of 391.43 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)-[(2S)-2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 72878224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).