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

C17H18ClN5O3 — CID 58146857

IUPAC[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1nc(-c2cnc3c(c2Cl)C=CC3)no1)N1CCN(CCO)CC1
InChIInChI=1S/C17H18ClN5O3/c18-14-11-2-1-3-13(11)19-10-12(14)15-20-16(26-21-15)17(25)23-6-4-22(5-7-23)8-9-24/h1-2,10,24H,3-9H2
InChIKeyJCBNQRLYJDTHAO-UHFFFAOYSA-N
MW375.82 g/mol
LogP1.10
Rot. Bonds4

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

[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 58146857) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID58146857
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC Name[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESO=C(c1nc(-c2cnc3c(c2Cl)C=CC3)no1)N1CCN(CCO)CC1
InChIInChI=1S/C17H18ClN5O3/c18-14-11-2-1-3-13(11)19-10-12(14)15-20-16(26-21-15)17(25)23-6-4-22(5-7-23)8-9-24/h1-2,10,24H,3-9H2
InChIKeyJCBNQRLYJDTHAO-UHFFFAOYSA-N
XLogP1.10
TPSA95.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-chloropyrazin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103817134
[5-(3-chlorophenyl)-1,2-oxazol-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110888415
(2-chloro-4,6-dimethyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 110027477
(5-bromo-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43393801
(2-bromo-4-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103754389
(3-amino-4,5-dichlorophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 61093236
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
(3-chloro-4-pyridinyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 66483588
[4-(2-hydroxyethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 3268876
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 118770175
(2-amino-6-chloro-4-pyridinyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107226309
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446

Frequently Asked Questions

What is the IUPAC name of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 58146857) is [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is O=C(c1nc(-c2cnc3c(c2Cl)C=CC3)no1)N1CCN(CCO)CC1.
What is the InChIKey of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is JCBNQRLYJDTHAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c18-14-11-2-1-3-13(11)19-10-12(14)15-20-16(26-21-15)17(25)23-6-4-22(5-7-23)8-9-24/h1-2,10,24H,3-9H2.
What are the key properties of [3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
[3-(4-chloro-7H-cyclopenta[b]pyridin-3-yl)-1,2,4-oxadiazol-5-yl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 375.82 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 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]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 58146857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).