2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid

C19H17N5O3 — CID 126643108

IUPAC2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
SMILESCCc1cc2ncc(-c3ccc4c(c3)c(C(C)=O)nn4CC(=O)O)cn2n1
InChIInChI=1S/C19H17N5O3/c1-3-14-7-17-20-8-13(9-24(17)21-14)12-4-5-16-15(6-12)19(11(2)25)22-23(16)10-18(26)27/h4-9H,3,10H2,1-2H3,(H,26,27)
InChIKeyRIWSOEPIHGUKTL-UHFFFAOYSA-N
MW363.38 g/mol
LogP2.60
Rot. Bonds5

About 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid

2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid (PubChem CID 126643108) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
PubChem CID126643108
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid
SMILESCCc1cc2ncc(-c3ccc4c(c3)c(C(C)=O)nn4CC(=O)O)cn2n1
InChIInChI=1S/C19H17N5O3/c1-3-14-7-17-20-8-13(9-24(17)21-14)12-4-5-16-15(6-12)19(11(2)25)22-23(16)10-18(26)27/h4-9H,3,10H2,1-2H3,(H,26,27)
InChIKeyRIWSOEPIHGUKTL-UHFFFAOYSA-N
XLogP2.60
TPSA102.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid (CID 126643108) is 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid is CCc1cc2ncc(-c3ccc4c(c3)c(C(C)=O)nn4CC(=O)O)cn2n1.
What is the InChIKey of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
The InChIKey is RIWSOEPIHGUKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-3-14-7-17-20-8-13(9-24(17)21-14)12-4-5-16-15(6-12)19(11(2)25)22-23(16)10-18(26)27/h4-9H,3,10H2,1-2H3,(H,26,27).
What are the key properties of 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid?
2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid has a molecular weight of 363.38 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-(2-ethylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetic acid is sourced from PubChem (CID 126643108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).