6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C18H20ClN5O — CID 135567004

IUPAC6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m1/s1
InChIKeyFIUCLBJMUGCQTF-LLVKDONJSA-N
MW357.85 g/mol
LogP4.06
Rot. Bonds4

About 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135567004) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135567004
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESC[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m1/s1
InChIKeyFIUCLBJMUGCQTF-LLVKDONJSA-N
XLogP4.06
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one with MolForge

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Related Compounds

6-Benzyl-1-cyclopentyl-1,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one
CID 135566500
6-[(3s,4s)-1-Benzyl-4-Methylpyrrolidin-3-Yl]-1-(1-Methylethyl)-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 135566501
6-{[(1r)-1-(4-Chlorophenyl)ethyl]amino}-1-Cyclopentyl-1,5-Dihydro-4h-Pyrazolo[3,4-D]pyrimidin-4-One
CID 136969934
1-tert-butyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-5-[(4-fluorophenyl)methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 154699442
5-benzyl-6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-propan-2-ylpyrazolo[5,4-d]pyrimidin-4-one
CID 156013087
1-Tert-butyl-5-[(3-chlorophenyl)methyl]-1H,4H,5H-pyrazolo[3,4-D]pyrimidin-4-one
CID 16193594
CID 135443450
CID 135443450
CID 135532763
CID 135532763
CID 135843758
CID 135843758
CID 135843764
CID 135843764
CID 135843766
CID 135843766
CID 135843919
CID 135843919

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135567004) is 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is C[C@@H](Nc1nc2c(cnn2C2CCCC2)c(=O)[nH]1)c1ccc(Cl)cc1.
What is the InChIKey of 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FIUCLBJMUGCQTF-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-11(12-6-8-13(19)9-7-12)21-18-22-16-15(17(25)23-18)10-20-24(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H2,21,22,23,25)/t11-/m1/s1.
What are the key properties of 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 357.85 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-1-cyclopentyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135567004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).