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

C16H23ClN4O2 — CID 119471065

IUPAC(2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
SMILESCc1noc2nc(C(C)C)cc(C(=O)N3CCNCC3C)c12.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-9(2)13-7-12(14-11(4)19-22-15(14)18-13)16(21)20-6-5-17-8-10(20)3;/h7,9-10,17H,5-6,8H2,1-4H3;1H
InChIKeyGCWHYSIFDHJXRI-UHFFFAOYSA-N
MW338.84 g/mol
LogP2.51
Rot. Bonds2

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

(2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride (PubChem CID 119471065) has the molecular formula C16H23ClN4O2 and a molecular weight of 338.84 g/mol. Its IUPAC name is (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride.

Molecular Properties

Compound Name(2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
PubChem CID119471065
Molecular FormulaC16H23ClN4O2
Molecular Weight338.84 g/mol
Exact Mass338.15
IUPAC Name(2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
SMILESCc1noc2nc(C(C)C)cc(C(=O)N3CCNCC3C)c12.Cl
InChIInChI=1S/C16H22N4O2.ClH/c1-9(2)13-7-12(14-11(4)19-22-15(14)18-13)16(21)20-6-5-17-8-10(20)3;/h7,9-10,17H,5-6,8H2,1-4H3;1H
InChIKeyGCWHYSIFDHJXRI-UHFFFAOYSA-N
XLogP2.51
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1-tert-butyl-3-methyl-6-propan-2-ylpyrazolo[5,4-b]pyridin-4-yl)-(2-methylpiperazin-1-yl)methanone
CID 119472124
[2-(aminomethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 75513695
[(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 100700529
3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylic acid
CID 9391694
N,3-dimethyl-6-propan-2-yl-N-pyrrolidin-3-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119551327
[2-(methylaminomethyl)pyrrolidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 119649647
[4-(ethylaminomethyl)piperidin-1-yl]-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride
CID 119645422
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone
CID 45495158
2-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 120517782
3-methyl-6-propan-2-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120813353
(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46976481
N-methyl-1-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 78864229

Frequently Asked Questions

What is the IUPAC name of (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The IUPAC name of (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride (CID 119471065) is (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride.
What is the SMILES notation for (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The canonical SMILES for (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride is Cc1noc2nc(C(C)C)cc(C(=O)N3CCNCC3C)c12.Cl.
What is the InChIKey of (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
The InChIKey is GCWHYSIFDHJXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2.ClH/c1-9(2)13-7-12(14-11(4)19-22-15(14)18-13)16(21)20-6-5-17-8-10(20)3;/h7,9-10,17H,5-6,8H2,1-4H3;1H.
What are the key properties of (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride?
(2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpiperazin-1-yl)-(3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-4-yl)methanone;hydrochloride is sourced from PubChem (CID 119471065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).