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

C18H14N6O2 — CID 90111479

IUPAC5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc5c(cnn5C)c4)nc23)o1
InChIInChI=1S/C18H14N6O2/c1-10-7-19-18(26-10)13-9-21-24-16(25)6-14(22-17(13)24)11-3-4-15-12(5-11)8-20-23(15)2/h3-9,21H,1-2H3
InChIKeyGHWSKFQIJGKQFR-UHFFFAOYSA-N
MW346.35 g/mol
LogP2.54
Rot. Bonds2

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

5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 90111479) has the molecular formula C18H14N6O2 and a molecular weight of 346.35 g/mol. Its IUPAC name is 5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID90111479
Molecular FormulaC18H14N6O2
Molecular Weight346.35 g/mol
Exact Mass346.12
IUPAC Name5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cnc(-c2c[nH]n3c(=O)cc(-c4ccc5c(cnn5C)c4)nc23)o1
InChIInChI=1S/C18H14N6O2/c1-10-7-19-18(26-10)13-9-21-24-16(25)6-14(22-17(13)24)11-3-4-15-12(5-11)8-20-23(15)2/h3-9,21H,1-2H3
InChIKeyGHWSKFQIJGKQFR-UHFFFAOYSA-N
XLogP2.54
TPSA94.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 90111479) is 5-(1-methylindazol-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-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(1-methylindazol-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(-c4ccc5c(cnn5C)c4)nc23)o1.
What is the InChIKey of 5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GHWSKFQIJGKQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6O2/c1-10-7-19-18(26-10)13-9-21-24-16(25)6-14(22-17(13)24)11-3-4-15-12(5-11)8-20-23(15)2/h3-9,21H,1-2H3.
What are the key properties of 5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 346.35 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylindazol-5-yl)-3-(5-methyl-1,3-oxazol-2-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 90111479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).