5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

C20H23N5O2 — CID 135730585

IUPAC5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESC#Cc1cnc(OCC(C)C)c(-c2nc3c(CCC)n(C)nc3c(=O)[nH]2)c1
InChIInChI=1S/C20H23N5O2/c1-6-8-15-16-17(24-25(15)5)19(26)23-18(22-16)14-9-13(7-2)10-21-20(14)27-11-12(3)4/h2,9-10,12H,6,8,11H2,1,3-5H3,(H,22,23,26)
InChIKeyYCHJVAXXDYJQJP-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.69
Rot. Bonds6

About 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135730585) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135730585
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESC#Cc1cnc(OCC(C)C)c(-c2nc3c(CCC)n(C)nc3c(=O)[nH]2)c1
InChIInChI=1S/C20H23N5O2/c1-6-8-15-16-17(24-25(15)5)19(26)23-18(22-16)14-9-13(7-2)10-21-20(14)27-11-12(3)4/h2,9-10,12H,6,8,11H2,1,3-5H3,(H,22,23,26)
InChIKeyYCHJVAXXDYJQJP-UHFFFAOYSA-N
XLogP2.69
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(5-amino-2-ethoxy-3-pyridinyl)-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135730637
5-(2-butoxy-5-ethynyl-3-pyridinyl)-3-ethyl-1-(2-methoxyethyl)-6H-pyrazolo[4,5-d]pyrimidin-7-one
CID 135730595
5-(5-amino-2-ethoxy-3-pyridinyl)-3-[4-(2-methoxyethoxy)phenyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135767299
5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135455945
5-(2-ethoxy-5-methyl-3-pyridinyl)-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 142103167
N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide
CID 23511619
3-ethoxy-5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-methyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135767311
5-[2-ethoxy-5-(4-ethylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2-[(1-methylimidazol-2-yl)methyl]-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135810290
[5-[3-ethyl-7-oxo-2-(1-propan-2-ylazetidin-3-yl)-6H-pyrazolo[4,3-d]pyrimidin-5-yl]-6-propoxy-3-pyridinyl] acetate
CID 135438353
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135515565
5-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-3-pyridinyl]-2,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
CID 135723151
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(1-ethylazetidin-3-yl)-6H-pyrazolo[4,3-d]pyrimidin-7-one;hydrochloride
CID 135673971

Frequently Asked Questions

What is the IUPAC name of 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135730585) is 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is C#Cc1cnc(OCC(C)C)c(-c2nc3c(CCC)n(C)nc3c(=O)[nH]2)c1.
What is the InChIKey of 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is YCHJVAXXDYJQJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-6-8-15-16-17(24-25(15)5)19(26)23-18(22-16)14-9-13(7-2)10-21-20(14)27-11-12(3)4/h2,9-10,12H,6,8,11H2,1,3-5H3,(H,22,23,26).
What are the key properties of 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 365.44 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethynyl-2-(2-methylpropoxy)-3-pyridinyl]-2-methyl-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135730585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).