[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone

C15H13ClN4O3 — CID 58146821

IUPAC[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1nc(-c2cnc3c(c2Cl)C=CC3)no1)N1CCC(O)C1
InChIInChI=1S/C15H13ClN4O3/c16-12-9-2-1-3-11(9)17-6-10(12)13-18-14(23-19-13)15(22)20-5-4-8(21)7-20/h1-2,6,8,21H,3-5,7H2
InChIKeyPZLNWOSBVJWVAV-UHFFFAOYSA-N
MW332.75 g/mol
LogP1.56
Rot. Bonds2

About [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone

[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone (PubChem CID 58146821) has the molecular formula C15H13ClN4O3 and a molecular weight of 332.75 g/mol. Its IUPAC name is [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
PubChem CID58146821
Molecular FormulaC15H13ClN4O3
Molecular Weight332.75 g/mol
Exact Mass332.07
IUPAC Name[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone
SMILESO=C(c1nc(-c2cnc3c(c2Cl)C=CC3)no1)N1CCC(O)C1
InChIInChI=1S/C15H13ClN4O3/c16-12-9-2-1-3-11(9)17-6-10(12)13-18-14(23-19-13)15(22)20-5-4-8(21)7-20/h1-2,6,8,21H,3-5,7H2
InChIKeyPZLNWOSBVJWVAV-UHFFFAOYSA-N
XLogP1.56
TPSA92.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.75
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 58146857
[3-(aminomethyl)-1,2,4-oxadiazol-5-yl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 25219213
[(3R)-3-hydroxypyrrolidin-1-yl]-(3,4,5-trichloro-2-pyridinyl)methanone
CID 66261197
(3-hydroxypyrrolidin-1-yl)-pyrimidin-5-ylmethanone
CID 102922153
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393
(3,6-dichloro-2-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103723510
(3,6-dichloro-2-pyridinyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62941925
[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561124
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
(6-fluoro-3-pyridinyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103719238
(3-hydroxypyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 62917595
(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561099

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The IUPAC name of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone (CID 58146821) is [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone.
What is the SMILES notation for [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The canonical SMILES for [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone is O=C(c1nc(-c2cnc3c(c2Cl)C=CC3)no1)N1CCC(O)C1.
What is the InChIKey of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
The InChIKey is PZLNWOSBVJWVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O3/c16-12-9-2-1-3-11(9)17-6-10(12)13-18-14(23-19-13)15(22)20-5-4-8(21)7-20/h1-2,6,8,21H,3-5,7H2.
What are the key properties of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone?
[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone has a molecular weight of 332.75 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-(3-hydroxypyrrolidin-1-yl)methanone is sourced from PubChem (CID 58146821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).