(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone

C19H21N5O2 — CID 51587835

IUPAC(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1
InChIInChI=1S/C19H21N5O2/c1-23-18-17(20-9-10-21-18)16(22-23)13-6-5-11-24(12-13)19(25)14-7-3-4-8-15(14)26-2/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVUIVEIZREXWONB-CYBMUJFWSA-N
MW351.41 g/mol
LogP2.39
Rot. Bonds3

About (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone

(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone (PubChem CID 51587835) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
PubChem CID51587835
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1
InChIInChI=1S/C19H21N5O2/c1-23-18-17(20-9-10-21-18)16(22-23)13-6-5-11-24(12-13)19(25)14-7-3-4-8-15(14)26-2/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1
InChIKeyVUIVEIZREXWONB-CYBMUJFWSA-N
XLogP2.39
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,3-dimethoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone
CID 110236539
(2-methoxyphenyl)-[3-(1-methylpyrazolo[3,4-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 110237545
2-methyl-1-[(3S)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92552953
[3-[1-(2-aminoethyl)pyrazolo[3,4-b]pyridin-3-yl]pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 110242194
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
CID 129366272
(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
3-cyclopentyl-1-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 92566333
2-(2,4-difluorophenoxy)-1-[3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]propan-1-one
CID 110234161
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
(2-methoxyphenyl)-[1-(quinoxaline-5-carbonyl)piperidin-3-yl]methanone
CID 45180688
[3-[2-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 53137664
1-methyl-3-[1-(2-phenylethyl)piperidin-3-yl]pyrazolo[3,4-b]pyrazine
CID 110234032

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone (CID 51587835) is (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone is COc1ccccc1C(=O)N1CCC[C@@H](c2nn(C)c3nccnc23)C1.
What is the InChIKey of (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
The InChIKey is VUIVEIZREXWONB-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23-18-17(20-9-10-21-18)16(22-23)13-6-5-11-24(12-13)19(25)14-7-3-4-8-15(14)26-2/h3-4,7-10,13H,5-6,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone?
(2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone has a molecular weight of 351.41 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-[(3R)-3-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 51587835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).