9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C18H22N4O2 — CID 121385049

IUPAC9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cn1cc(-c2ccn3c(=O)c(C(C)C)cnc3c2O)cn1
InChIInChI=1S/C18H22N4O2/c1-11(2)9-21-10-13(7-20-21)14-5-6-22-17(16(14)23)19-8-15(12(3)4)18(22)24/h5-8,10-12,23H,9H2,1-4H3
InChIKeyCRCZIKUTIWEWRU-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.04
Rot. Bonds4

About 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 121385049) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID121385049
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)Cn1cc(-c2ccn3c(=O)c(C(C)C)cnc3c2O)cn1
InChIInChI=1S/C18H22N4O2/c1-11(2)9-21-10-13(7-20-21)14-5-6-22-17(16(14)23)19-8-15(12(3)4)18(22)24/h5-8,10-12,23H,9H2,1-4H3
InChIKeyCRCZIKUTIWEWRU-UHFFFAOYSA-N
XLogP3.04
TPSA72.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 121385049) is 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC(C)Cn1cc(-c2ccn3c(=O)c(C(C)C)cnc3c2O)cn1.
What is the InChIKey of 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CRCZIKUTIWEWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-11(2)9-21-10-13(7-20-21)14-5-6-22-17(16(14)23)19-8-15(12(3)4)18(22)24/h5-8,10-12,23H,9H2,1-4H3.
What are the key properties of 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 326.40 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-8-[1-(2-methylpropyl)pyrazol-4-yl]-3-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 121385049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).