1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

C17H25N7 — CID 86813562

IUPAC1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(C)c(Nc2nc(C)nc3c2cnn3C(C)(C)C)c1C
InChIInChI=1S/C17H25N7/c1-8-23-11(3)14(10(2)22-23)21-15-13-9-18-24(17(5,6)7)16(13)20-12(4)19-15/h9H,8H2,1-7H3,(H,19,20,21)
InChIKeyOCTMCKGTOJGVFC-UHFFFAOYSA-N
MW327.44 g/mol
LogP3.47
Rot. Bonds3

About 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 86813562) has the molecular formula C17H25N7 and a molecular weight of 327.44 g/mol. Its IUPAC name is 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID86813562
Molecular FormulaC17H25N7
Molecular Weight327.44 g/mol
Exact Mass327.22
IUPAC Name1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCn1nc(C)c(Nc2nc(C)nc3c2cnn3C(C)(C)C)c1C
InChIInChI=1S/C17H25N7/c1-8-23-11(3)14(10(2)22-23)21-15-13-9-18-24(17(5,6)7)16(13)20-12(4)19-15/h9H,8H2,1-7H3,(H,19,20,21)
InChIKeyOCTMCKGTOJGVFC-UHFFFAOYSA-N
XLogP3.47
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

N-(1-ethyl-5-methylpyrazol-4-yl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 52104028
6-ethyl-N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56901030
N-methyl-3-propan-2-yl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 70696465
6-cyclopentyl-N,1-dimethyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70705117
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-1,3-dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70705673
N,1,3,6-tetramethyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70751078
N-[(3,5-dimethyl-1-propyl-1H-pyrazol-4-yl)methyl]-1-methyl-6-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70755138
1,6-dimethyl-N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 72881710
N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-7H-purin-6-amine
CID 39805387
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-[(1-methyl-1H-imidazol-2-yl)methyl]cyclopropanamine
CID 56723291
1,3,6-trimethyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 70757940
1,3-dimethyl-N-[(2S)-2-(4-methylpyrazol-1-yl)propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 95871545

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine (CID 86813562) is 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is CCn1nc(C)c(Nc2nc(C)nc3c2cnn3C(C)(C)C)c1C.
What is the InChIKey of 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OCTMCKGTOJGVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7/c1-8-23-11(3)14(10(2)22-23)21-15-13-9-18-24(17(5,6)7)16(13)20-12(4)19-15/h9H,8H2,1-7H3,(H,19,20,21).
What are the key properties of 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 327.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-6-methylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 86813562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).