2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

C21H24N4O3 — CID 92555831

IUPAC2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C)nn12
InChIInChI=1S/C21H24N4O3/c1-15-13-20-22-11-10-17(25(20)23-15)16-7-5-6-12-24(16)21(26)14-28-19-9-4-3-8-18(19)27-2/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m1/s1
InChIKeyQPBSUYRMUUILBZ-MRXNPFEDSA-N
MW380.45 g/mol
LogP3.18
Rot. Bonds5

About 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone

2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (PubChem CID 92555831) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
PubChem CID92555831
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone
SMILESCOc1ccccc1OCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C)nn12
InChIInChI=1S/C21H24N4O3/c1-15-13-20-22-11-10-17(25(20)23-15)16-7-5-6-12-24(16)21(26)14-28-19-9-4-3-8-18(19)27-2/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m1/s1
InChIKeyQPBSUYRMUUILBZ-MRXNPFEDSA-N
XLogP3.18
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 92555828
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92555819
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
1-[(2S)-2-(2-tert-butylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 92585275
2-(2-methoxyphenoxy)-1-[2-[2-methyl-5-(piperidine-1-carbonyl)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 110248302
1-[2-(aminomethyl)piperidin-1-yl]-2-(2-methoxyphenoxy)ethanone;hydrochloride
CID 119466153
(6-methoxy-2-methylquinolin-3-yl)-[2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-1-yl]methanone
CID 110218897
tert-butyl 2-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]pyrrolidine-1-carboxylate
CID 47088995
1-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 40875998
6-(4-methoxyphenyl)-3-[(2S)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 92555874
6-(4-methoxyphenyl)-3-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 92555873
3-[(2S)-1-[2-(2-methoxyphenoxy)acetyl]piperidin-2-yl]propanoic acid
CID 125148961

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone (CID 92555831) is 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is COc1ccccc1OCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C)nn12.
What is the InChIKey of 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
The InChIKey is QPBSUYRMUUILBZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-13-20-22-11-10-17(25(20)23-15)16-7-5-6-12-24(16)21(26)14-28-19-9-4-3-8-18(19)27-2/h3-4,8-11,13,16H,5-7,12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone?
2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone has a molecular weight of 380.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenoxy)-1-[(2R)-2-(2-methylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 92555831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).