3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

C19H21Cl2N5O — CID 135907866

IUPAC3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1nc2c(C3CCCC3)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C19H21Cl2N5O/c1-25(10-11-7-8-13(20)14(21)9-11)19-22-16-15(12-5-3-4-6-12)24-26(2)17(16)18(27)23-19/h7-9,12H,3-6,10H2,1-2H3,(H,22,23,27)
InChIKeyTXCUGXJSWUZDDR-UHFFFAOYSA-N
MW406.32 g/mol
LogP4.26
Rot. Bonds4

About 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one

3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (PubChem CID 135907866) has the molecular formula C19H21Cl2N5O and a molecular weight of 406.32 g/mol. Its IUPAC name is 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.

Molecular Properties

Compound Name3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
PubChem CID135907866
Molecular FormulaC19H21Cl2N5O
Molecular Weight406.32 g/mol
Exact Mass405.11
IUPAC Name3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one
SMILESCN(Cc1ccc(Cl)c(Cl)c1)c1nc2c(C3CCCC3)nn(C)c2c(=O)[nH]1
InChIInChI=1S/C19H21Cl2N5O/c1-25(10-11-7-8-13(20)14(21)9-11)19-22-16-15(12-5-3-4-6-12)24-26(2)17(16)18(27)23-19/h7-9,12H,3-6,10H2,1-2H3,(H,22,23,27)
InChIKeyTXCUGXJSWUZDDR-UHFFFAOYSA-N
XLogP4.26
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The IUPAC name of 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one (CID 135907866) is 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one.
What is the SMILES notation for 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The canonical SMILES for 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is CN(Cc1ccc(Cl)c(Cl)c1)c1nc2c(C3CCCC3)nn(C)c2c(=O)[nH]1.
What is the InChIKey of 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
The InChIKey is TXCUGXJSWUZDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N5O/c1-25(10-11-7-8-13(20)14(21)9-11)19-22-16-15(12-5-3-4-6-12)24-26(2)17(16)18(27)23-19/h7-9,12H,3-6,10H2,1-2H3,(H,22,23,27).
What are the key properties of 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one?
3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one has a molecular weight of 406.32 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-[(3,4-dichlorophenyl)methyl-methylamino]-1-methyl-6H-pyrazolo[4,5-d]pyrimidin-7-one is sourced from PubChem (CID 135907866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).