5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

C24H32N6O4 — CID 135487696

IUPAC5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1
InChIInChI=1S/C24H32N6O4/c1-4-6-11-34-24-18(14-17(15-25-24)16(3)31)22-26-20-19(5-2)30(28-21(20)23(32)27-22)8-7-29-9-12-33-13-10-29/h14-15H,4-13H2,1-3H3,(H,26,27,32)
InChIKeyCNCUTWNMEWCOPN-UHFFFAOYSA-N
MW468.56 g/mol
LogP2.46
Rot. Bonds10

About 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135487696) has the molecular formula C24H32N6O4 and a molecular weight of 468.56 g/mol. Its IUPAC name is 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135487696
Molecular FormulaC24H32N6O4
Molecular Weight468.56 g/mol
Exact Mass468.25
IUPAC Name5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1
InChIInChI=1S/C24H32N6O4/c1-4-6-11-34-24-18(14-17(15-25-24)16(3)31)22-26-20-19(5-2)30(28-21(20)23(32)27-22)8-7-29-9-12-33-13-10-29/h14-15H,4-13H2,1-3H3,(H,26,27,32)
InChIKeyCNCUTWNMEWCOPN-UHFFFAOYSA-N
XLogP2.46
TPSA115.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.56
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (CID 135487696) is 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCCCOc1ncc(C(C)=O)cc1-c1nc2c(CC)n(CCN3CCOCC3)nc2c(=O)[nH]1.
What is the InChIKey of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is CNCUTWNMEWCOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O4/c1-4-6-11-34-24-18(14-17(15-25-24)16(3)31)22-26-20-19(5-2)30(28-21(20)23(32)27-22)8-7-29-9-12-33-13-10-29/h14-15H,4-13H2,1-3H3,(H,26,27,32).
What are the key properties of 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 468.56 g/mol, XLogP of 2.46, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-acetyl-2-butoxy-3-pyridinyl)-3-ethyl-2-(2-morpholin-4-ylethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135487696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).