2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid

C19H25FN4O4 — CID 167501829

IUPAC2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
SMILESCCn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cc(F)c(C(=O)O)c2n1
InChIInChI=1S/C19H25FN4O4/c1-5-24-11-12-14(10-13(20)15(17(25)26)16(12)21-24)22-6-8-23(9-7-22)18(27)28-19(2,3)4/h10-11H,5-9H2,1-4H3,(H,25,26)
InChIKeyXWAKHLFSLXVZRV-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.95
Rot. Bonds3

About 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid

2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid (PubChem CID 167501829) has the molecular formula C19H25FN4O4 and a molecular weight of 392.43 g/mol. Its IUPAC name is 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
PubChem CID167501829
Molecular FormulaC19H25FN4O4
Molecular Weight392.43 g/mol
Exact Mass392.19
IUPAC Name2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
SMILESCCn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cc(F)c(C(=O)O)c2n1
InChIInChI=1S/C19H25FN4O4/c1-5-24-11-12-14(10-13(20)15(17(25)26)16(12)21-24)22-6-8-23(9-7-22)18(27)28-19(2,3)4/h10-11H,5-9H2,1-4H3,(H,25,26)
InChIKeyXWAKHLFSLXVZRV-UHFFFAOYSA-N
XLogP2.95
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
The IUPAC name of 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid (CID 167501829) is 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid.
What is the SMILES notation for 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
The canonical SMILES for 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid is CCn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cc(F)c(C(=O)O)c2n1.
What is the InChIKey of 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
The InChIKey is XWAKHLFSLXVZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O4/c1-5-24-11-12-14(10-13(20)15(17(25)26)16(12)21-24)22-6-8-23(9-7-22)18(27)28-19(2,3)4/h10-11H,5-9H2,1-4H3,(H,25,26).
What are the key properties of 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid has a molecular weight of 392.43 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-fluoro-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid is sourced from PubChem (CID 167501829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).