1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C19H20N6O2 — CID 166199861

IUPAC1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CCC(=O)N3CCC=C(c4ccncc4)C3)nc21
InChIInChI=1S/C19H20N6O2/c1-24-18-15(11-21-24)19(27)23-16(22-18)4-5-17(26)25-10-2-3-14(12-25)13-6-8-20-9-7-13/h3,6-9,11H,2,4-5,10,12H2,1H3,(H,22,23,27)
InChIKeyFZVJKDAQUJTHGJ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.30
Rot. Bonds4

About 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 166199861) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID166199861
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CCC(=O)N3CCC=C(c4ccncc4)C3)nc21
InChIInChI=1S/C19H20N6O2/c1-24-18-15(11-21-24)19(27)23-16(22-18)4-5-17(26)25-10-2-3-14(12-25)13-6-8-20-9-7-13/h3,6-9,11H,2,4-5,10,12H2,1H3,(H,22,23,27)
InChIKeyFZVJKDAQUJTHGJ-UHFFFAOYSA-N
XLogP1.30
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 166199861) is 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(CCC(=O)N3CCC=C(c4ccncc4)C3)nc21.
What is the InChIKey of 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FZVJKDAQUJTHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-24-18-15(11-21-24)19(27)23-16(22-18)4-5-17(26)25-10-2-3-14(12-25)13-6-8-20-9-7-13/h3,6-9,11H,2,4-5,10,12H2,1H3,(H,22,23,27).
What are the key properties of 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 364.41 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[3-oxo-3-(5-pyridin-4-yl-3,6-dihydro-2H-pyridin-1-yl)propyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 166199861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).