5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

C21H27N5O5 — CID 135455945

IUPAC5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1c2nc(-c3cc(C(C)=O)cnc3OC(C)COC)[nH]c(=O)c2nn1CCOC
InChIInChI=1S/C21H27N5O5/c1-6-16-17-18(25-26(16)7-8-29-4)20(28)24-19(23-17)15-9-14(13(3)27)10-22-21(15)31-12(2)11-30-5/h9-10,12H,6-8,11H2,1-5H3,(H,23,24,28)
InChIKeyUZBXTNQHMVRFNT-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.01
Rot. Bonds10

About 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one

5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one (PubChem CID 135455945) has the molecular formula C21H27N5O5 and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
PubChem CID135455945
Molecular FormulaC21H27N5O5
Molecular Weight429.48 g/mol
Exact Mass429.20
IUPAC Name5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one
SMILESCCc1c2nc(-c3cc(C(C)=O)cnc3OC(C)COC)[nH]c(=O)c2nn1CCOC
InChIInChI=1S/C21H27N5O5/c1-6-16-17-18(25-26(16)7-8-29-4)20(28)24-19(23-17)15-9-14(13(3)27)10-22-21(15)31-12(2)11-30-5/h9-10,12H,6-8,11H2,1-5H3,(H,23,24,28)
InChIKeyUZBXTNQHMVRFNT-UHFFFAOYSA-N
XLogP2.01
TPSA121.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The IUPAC name of 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) is 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one.
What is the SMILES notation for 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The canonical SMILES for 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is CCc1c2nc(-c3cc(C(C)=O)cnc3OC(C)COC)[nH]c(=O)c2nn1CCOC.
What is the InChIKey of 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
The InChIKey is UZBXTNQHMVRFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O5/c1-6-16-17-18(25-26(16)7-8-29-4)20(28)24-19(23-17)15-9-14(13(3)27)10-22-21(15)31-12(2)11-30-5/h9-10,12H,6-8,11H2,1-5H3,(H,23,24,28).
What are the key properties of 5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one?
5-[5-acetyl-2-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one has a molecular weight of 429.48 g/mol, XLogP of 2.01, 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-(1-methoxypropan-2-yloxy)-3-pyridinyl]-3-ethyl-2-(2-methoxyethyl)-6H-pyrazolo[4,3-d]pyrimidin-7-one is sourced from PubChem (CID 135455945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).