(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

C17H24ClN5O2 — CID 120995580

IUPAC(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCc1noc2ncc(C(=O)N3CCC(N4CCNCC4)C3)cc12.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-2-15-14-9-12(10-19-16(14)24-20-15)17(23)22-6-3-13(11-22)21-7-4-18-5-8-21;/h9-10,13,18H,2-8,11H2,1H3;1H
InChIKeyQRZNSJOKUNKOPK-UHFFFAOYSA-N
MW365.87 g/mol
LogP1.33
Rot. Bonds3

About (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride

(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (PubChem CID 120995580) has the molecular formula C17H24ClN5O2 and a molecular weight of 365.87 g/mol. Its IUPAC name is (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
PubChem CID120995580
Molecular FormulaC17H24ClN5O2
Molecular Weight365.87 g/mol
Exact Mass365.16
IUPAC Name(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
SMILESCCc1noc2ncc(C(=O)N3CCC(N4CCNCC4)C3)cc12.Cl
InChIInChI=1S/C17H23N5O2.ClH/c1-2-15-14-9-12(10-19-16(14)24-20-15)17(23)22-6-3-13(11-22)21-7-4-18-5-8-21;/h9-10,13,18H,2-8,11H2,1H3;1H
InChIKeyQRZNSJOKUNKOPK-UHFFFAOYSA-N
XLogP1.33
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119560029
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95768550
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-morpholin-4-ylsulfonylpiperidin-1-yl)methanone
CID 75473924
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-methyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 62371859
(2S)-1-(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 99701713
(3,5-dimethylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120994448
N-methyl-5-(3-piperazin-1-ylpyrrolidine-1-carbonyl)pyridine-2-carboxamide;hydrochloride
CID 120996292
(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120996428
(3-ethoxy-4-methylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120994361
(3,4-dipropoxyphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120996429
(3-ethylsulfonylphenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995192
(3-bromo-5-fluorophenyl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 120995836

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The IUPAC name of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride (CID 120995580) is (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride.
What is the SMILES notation for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The canonical SMILES for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is CCc1noc2ncc(C(=O)N3CCC(N4CCNCC4)C3)cc12.Cl.
What is the InChIKey of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
The InChIKey is QRZNSJOKUNKOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2.ClH/c1-2-15-14-9-12(10-19-16(14)24-20-15)17(23)22-6-3-13(11-22)21-7-4-18-5-8-21;/h9-10,13,18H,2-8,11H2,1H3;1H.
What are the key properties of (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride?
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride has a molecular weight of 365.87 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(3-piperazin-1-ylpyrrolidin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 120995580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).