1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C16H23N7O — CID 136537382

IUPAC1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCN(Cc1cnn(C)c1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C16H23N7O/c1-6-22(10-11-7-17-21(5)9-11)15-19-13-12(14(24)20-15)8-18-23(13)16(2,3)4/h7-9H,6,10H2,1-5H3,(H,19,20,24)
InChIKeyKFFPYWYLZCITHX-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.63
Rot. Bonds4

About 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 136537382) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID136537382
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCCN(Cc1cnn(C)c1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C16H23N7O/c1-6-22(10-11-7-17-21(5)9-11)15-19-13-12(14(24)20-15)8-18-23(13)16(2,3)4/h7-9H,6,10H2,1-5H3,(H,19,20,24)
InChIKeyKFFPYWYLZCITHX-UHFFFAOYSA-N
XLogP1.63
TPSA84.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 136537382) is 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is CCN(Cc1cnn(C)c1)c1nc2c(cnn2C(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KFFPYWYLZCITHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-6-22(10-11-7-17-21(5)9-11)15-19-13-12(14(24)20-15)8-18-23(13)16(2,3)4/h7-9H,6,10H2,1-5H3,(H,19,20,24).
What are the key properties of 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 329.41 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 136537382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).