6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H17N7O — CID 166214244

IUPAC6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1C1CC1
InChIInChI=1S/C18H17N7O/c1-24-14(11-7-8-11)9-15(23-24)20-18-21-16-13(17(26)22-18)10-19-25(16)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H2,20,21,22,23,26)
InChIKeyUFNLLBXIWRFFFU-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.46
Rot. Bonds4

About 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166214244) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166214244
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1nc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1C1CC1
InChIInChI=1S/C18H17N7O/c1-24-14(11-7-8-11)9-15(23-24)20-18-21-16-13(17(26)22-18)10-19-25(16)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H2,20,21,22,23,26)
InChIKeyUFNLLBXIWRFFFU-UHFFFAOYSA-N
XLogP2.46
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166214244) is 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1nc(Nc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)cc1C1CC1.
What is the InChIKey of 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is UFNLLBXIWRFFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-24-14(11-7-8-11)9-15(23-24)20-18-21-16-13(17(26)22-18)10-19-25(16)12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H2,20,21,22,23,26).
What are the key properties of 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 347.38 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyclopropyl-1-methylpyrazol-3-yl)amino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166214244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).