1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H19N5O — CID 137289719

IUPAC1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C)nn2C(C)c2ccc(C3CC3)nc2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O/c1-9-15-16(19-11(3)20-17(15)23)22(21-9)10(2)13-6-7-14(18-8-13)12-4-5-12/h6-8,10,12H,4-5H2,1-3H3,(H,19,20,23)
InChIKeyQPSCEYGIICCZSH-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.62
Rot. Bonds3

About 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 137289719) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID137289719
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(c(C)nn2C(C)c2ccc(C3CC3)nc2)c(=O)[nH]1
InChIInChI=1S/C17H19N5O/c1-9-15-16(19-11(3)20-17(15)23)22(21-9)10(2)13-6-7-14(18-8-13)12-4-5-12/h6-8,10,12H,4-5H2,1-3H3,(H,19,20,23)
InChIKeyQPSCEYGIICCZSH-UHFFFAOYSA-N
XLogP2.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 137289719) is 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(c(C)nn2C(C)c2ccc(C3CC3)nc2)c(=O)[nH]1.
What is the InChIKey of 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is QPSCEYGIICCZSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-9-15-16(19-11(3)20-17(15)23)22(21-9)10(2)13-6-7-14(18-8-13)12-4-5-12/h6-8,10,12H,4-5H2,1-3H3,(H,19,20,23).
What are the key properties of 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 309.37 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-cyclopropyl-3-pyridinyl)ethyl]-3,6-dimethyl-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 137289719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).