7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H16N6O3 — CID 135990888

IUPAC7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cnn2cc(CCO)cnc12)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C16H16N6O3/c23-4-2-10-5-17-14-12(6-20-22(14)7-10)16(25)21-3-1-11-13(8-21)18-9-19-15(11)24/h5-7,9,23H,1-4,8H2,(H,18,19,24)
InChIKeyJALHHHMLOHNGIT-UHFFFAOYSA-N
MW340.34 g/mol
LogP-0.45
Rot. Bonds3

About 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135990888) has the molecular formula C16H16N6O3 and a molecular weight of 340.34 g/mol. Its IUPAC name is 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135990888
Molecular FormulaC16H16N6O3
Molecular Weight340.34 g/mol
Exact Mass340.13
IUPAC Name7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1cnn2cc(CCO)cnc12)N1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C16H16N6O3/c23-4-2-10-5-17-14-12(6-20-22(14)7-10)16(25)21-3-1-11-13(8-21)18-9-19-15(11)24/h5-7,9,23H,1-4,8H2,(H,18,19,24)
InChIKeyJALHHHMLOHNGIT-UHFFFAOYSA-N
XLogP-0.45
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135990888) is 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1cnn2cc(CCO)cnc12)N1CCc2c(nc[nH]c2=O)C1.
What is the InChIKey of 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is JALHHHMLOHNGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3/c23-4-2-10-5-17-14-12(6-20-22(14)7-10)16(25)21-3-1-11-13(8-21)18-9-19-15(11)24/h5-7,9,23H,1-4,8H2,(H,18,19,24).
What are the key properties of 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 340.34 g/mol, XLogP of -0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[6-(2-hydroxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135990888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).