(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone

C16H16N4O2 — CID 10637678

IUPAC(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone
SMILESCCc1nc(C(=O)c2ccc(OC)cc2)c2cnn(C)c2n1
InChIInChI=1S/C16H16N4O2/c1-4-13-18-14(12-9-17-20(2)16(12)19-13)15(21)10-5-7-11(22-3)8-6-10/h5-9H,4H2,1-3H3
InChIKeyKVTHFCAYQZXWNJ-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.17
Rot. Bonds4

About (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone

(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone (PubChem CID 10637678) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone
PubChem CID10637678
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone
SMILESCCc1nc(C(=O)c2ccc(OC)cc2)c2cnn(C)c2n1
InChIInChI=1S/C16H16N4O2/c1-4-13-18-14(12-9-17-20(2)16(12)19-13)15(21)10-5-7-11(22-3)8-6-10/h5-9H,4H2,1-3H3
InChIKeyKVTHFCAYQZXWNJ-UHFFFAOYSA-N
XLogP2.17
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(6-ethyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)-phenylmethanone
CID 10711371
4-(4-methoxyphenoxy)-1-methylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 7072454
isoquinolin-1-yl-(4-methoxyphenyl)methanone
CID 693112
6-(4-methoxyphenyl)-1-methyl-N-pentylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 134800939
[5-(4-methoxybenzoyl)-3-pyridinyl]-(4-methoxyphenyl)methanone
CID 102584961
[1-(4-methoxybenzoyl)-3-methylisoquinolin-4-yl] acetate
CID 67425165
4-(4-methoxybenzoyl)-1H-quinazolin-2-one
CID 134117292
N-[(4-methoxyphenyl)methyl]-1-methyl-4-pyrrolidin-1-ylpyrazolo[5,4-d]pyrimidine-6-carboxamide
CID 53181390
(5-ethylthiophen-2-yl)-(4-methoxyphenyl)methanone
CID 43160962
4-methoxy-N-[(10-methyl-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-4-yl)methyl]aniline
CID 19571523
[4-[4-(4-methoxybenzoyl)benzoyl]phenyl]-(4-methylphenyl)methanone
CID 90306891
(3-methoxyphenyl)-(6-methyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)methanone
CID 10665128

Frequently Asked Questions

What is the IUPAC name of (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone?
The IUPAC name of (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone (CID 10637678) is (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone.
What is the SMILES notation for (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone?
The canonical SMILES for (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone is CCc1nc(C(=O)c2ccc(OC)cc2)c2cnn(C)c2n1.
What is the InChIKey of (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone?
The InChIKey is KVTHFCAYQZXWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-4-13-18-14(12-9-17-20(2)16(12)19-13)15(21)10-5-7-11(22-3)8-6-10/h5-9H,4H2,1-3H3.
What are the key properties of (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone?
(6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone has a molecular weight of 296.33 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-ethyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-(4-methoxyphenyl)methanone is sourced from PubChem (CID 10637678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).