6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H21N5O — CID 137275297

IUPAC6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCCC1
InChIInChI=1S/C18H21N5O/c1-18(9-5-6-10-18)12-19-17-21-15-14(16(24)22-17)11-20-23(15)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,19,21,22,24)
InChIKeyRLUOEJSRAWHXTJ-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.10
Rot. Bonds4

About 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137275297) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137275297
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC1(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCCC1
InChIInChI=1S/C18H21N5O/c1-18(9-5-6-10-18)12-19-17-21-15-14(16(24)22-17)11-20-23(15)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,19,21,22,24)
InChIKeyRLUOEJSRAWHXTJ-UHFFFAOYSA-N
XLogP3.10
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137275297) is 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is CC1(CNc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CCCC1.
What is the InChIKey of 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is RLUOEJSRAWHXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-18(9-5-6-10-18)12-19-17-21-15-14(16(24)22-17)11-20-23(15)13-7-3-2-4-8-13/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H2,19,21,22,24).
What are the key properties of 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylcyclopentyl)methylamino]-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137275297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).