(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride

C17H25ClN4O2 — CID 120571521

IUPAC(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2C)c2c(C(C)C)noc2n1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-9(2)15-14-13(8-10(3)19-16(14)23-20-15)17(22)21-7-6-18-11(4)12(21)5;/h8-9,11-12,18H,6-7H2,1-5H3;1H
InChIKeyVYZBWXWUGKPUFU-UHFFFAOYSA-N
MW352.87 g/mol
LogP2.90
Rot. Bonds2

About (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride

(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride (PubChem CID 120571521) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
PubChem CID120571521
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
SMILESCc1cc(C(=O)N2CCNC(C)C2C)c2c(C(C)C)noc2n1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-9(2)15-14-13(8-10(3)19-16(14)23-20-15)17(22)21-7-6-18-11(4)12(21)5;/h8-9,11-12,18H,6-7H2,1-5H3;1H
InChIKeyVYZBWXWUGKPUFU-UHFFFAOYSA-N
XLogP2.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The IUPAC name of (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride (CID 120571521) is (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The canonical SMILES for (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride is Cc1cc(C(=O)N2CCNC(C)C2C)c2c(C(C)C)noc2n1.Cl.
What is the InChIKey of (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The InChIKey is VYZBWXWUGKPUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-9(2)15-14-13(8-10(3)19-16(14)23-20-15)17(22)21-7-6-18-11(4)12(21)5;/h8-9,11-12,18H,6-7H2,1-5H3;1H.
What are the key properties of (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
(2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpiperazin-1-yl)-(6-methyl-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 120571521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).