(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone

C16H17N5O — CID 102252905

IUPAC(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C16H17N5O/c1-9(2)21-16-12(15(17)18-8-19-16)13(20-21)14(22)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyHFEVOLDTJMAFFP-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.53
Rot. Bonds3

About (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone

(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone (PubChem CID 102252905) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone
PubChem CID102252905
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2nn(C(C)C)c3ncnc(N)c23)cc1
InChIInChI=1S/C16H17N5O/c1-9(2)21-16-12(15(17)18-8-19-16)13(20-21)14(22)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,17,18,19)
InChIKeyHFEVOLDTJMAFFP-UHFFFAOYSA-N
XLogP2.53
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-iodo-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905337
3-(3,4-dimethylphenyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 53345583
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methylphenol
CID 24905287
1-[3-[2-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)ethynyl]-4-methylphenyl]-3-(3-methylphenyl)propan-2-one
CID 161119312
3-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905143
1-[3-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl]-3-(3-methylphenyl)urea
CID 58506752
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
CID 24905288
3-(1,3-oxazol-5-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 175850012
N-[[4-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)phenyl]methyl]-2-methoxybenzamide
CID 126717878
6-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)chromen-4-one
CID 24905229
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 24905172
1-[5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]propan-2-one;methane
CID 159757401

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone?
The IUPAC name of (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone (CID 102252905) is (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone.
What is the SMILES notation for (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone?
The canonical SMILES for (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone is Cc1ccc(C(=O)c2nn(C(C)C)c3ncnc(N)c23)cc1.
What is the InChIKey of (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone?
The InChIKey is HFEVOLDTJMAFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-9(2)21-16-12(15(17)18-8-19-16)13(20-21)14(22)11-6-4-10(3)5-7-11/h4-9H,1-3H3,(H2,17,18,19).
What are the key properties of (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone?
(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone has a molecular weight of 295.35 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-(4-methylphenyl)methanone is sourced from PubChem (CID 102252905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).