5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H12N6O2 — CID 90108973

IUPAC5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc5[nH]ncc5c4)nc23)o1
InChIInChI=1S/C17H12N6O2/c1-9-6-18-17(25-9)12-8-20-23-15(24)5-14(21-16(12)23)10-2-3-13-11(4-10)7-19-22-13/h2-8,20H,1H3,(H,19,22)
InChIKeyCTSMJDUPWQVURQ-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.53
Rot. Bonds2

About 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90108973) has the molecular formula C17H12N6O2 and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90108973
Molecular FormulaC17H12N6O2
Molecular Weight332.32 g/mol
Exact Mass332.10
IUPAC Name5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc5[nH]ncc5c4)nc23)o1
InChIInChI=1S/C17H12N6O2/c1-9-6-18-17(25-9)12-8-20-23-15(24)5-14(21-16(12)23)10-2-3-13-11(4-10)7-19-22-13/h2-8,20H,1H3,(H,19,22)
InChIKeyCTSMJDUPWQVURQ-UHFFFAOYSA-N
XLogP2.53
TPSA104.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90108973) is 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc5[nH]ncc5c4)nc23)o1.
What is the InChIKey of 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is CTSMJDUPWQVURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N6O2/c1-9-6-18-17(25-9)12-8-20-23-15(24)5-14(21-16(12)23)10-2-3-13-11(4-10)7-19-22-13/h2-8,20H,1H3,(H,19,22).
What are the key properties of 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 332.32 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90108973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).