5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H18N6O3 — CID 158508865

IUPAC5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(=O)Cc1[nH]n2c(=O)cc(-c3ccc4c(cnn4C(C)=O)c3)nc2c1-c1ccccn1
InChIInChI=1S/C23H18N6O3/c1-13(30)9-19-22(17-5-3-4-8-24-17)23-26-18(11-21(32)29(23)27-19)15-6-7-20-16(10-15)12-25-28(20)14(2)31/h3-8,10-12,27H,9H2,1-2H3
InChIKeyIIPHPTPKVLGKDX-UHFFFAOYSA-N
MW426.44 g/mol
LogP2.89
Rot. Bonds4

About 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 158508865) has the molecular formula C23H18N6O3 and a molecular weight of 426.44 g/mol. Its IUPAC name is 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID158508865
Molecular FormulaC23H18N6O3
Molecular Weight426.44 g/mol
Exact Mass426.14
IUPAC Name5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCC(=O)Cc1[nH]n2c(=O)cc(-c3ccc4c(cnn4C(C)=O)c3)nc2c1-c1ccccn1
InChIInChI=1S/C23H18N6O3/c1-13(30)9-19-22(17-5-3-4-8-24-17)23-26-18(11-21(32)29(23)27-19)15-6-7-20-16(10-15)12-25-28(20)14(2)31/h3-8,10-12,27H,9H2,1-2H3
InChIKeyIIPHPTPKVLGKDX-UHFFFAOYSA-N
XLogP2.89
TPSA115.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.44
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 158508865) is 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CC(=O)Cc1[nH]n2c(=O)cc(-c3ccc4c(cnn4C(C)=O)c3)nc2c1-c1ccccn1.
What is the InChIKey of 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is IIPHPTPKVLGKDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N6O3/c1-13(30)9-19-22(17-5-3-4-8-24-17)23-26-18(11-21(32)29(23)27-19)15-6-7-20-16(10-15)12-25-28(20)14(2)31/h3-8,10-12,27H,9H2,1-2H3.
What are the key properties of 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 426.44 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-acetylindazol-5-yl)-2-(2-oxopropyl)-3-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 158508865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).