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

C18H23FN4O4 — CID 167501092

IUPAC5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
SMILESCn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc(C(=O)O)c2n1
InChIInChI=1S/C18H23FN4O4/c1-18(2,3)27-17(26)23-7-5-22(6-8-23)15-12-10-21(4)20-14(12)11(16(24)25)9-13(15)19/h9-10H,5-8H2,1-4H3,(H,24,25)
InChIKeyGRCIPNMVNKECBV-UHFFFAOYSA-N
MW378.40 g/mol
LogP2.47
Rot. Bonds2

About 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid

5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid (PubChem CID 167501092) has the molecular formula C18H23FN4O4 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
PubChem CID167501092
Molecular FormulaC18H23FN4O4
Molecular Weight378.40 g/mol
Exact Mass378.17
IUPAC Name5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid
SMILESCn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc(C(=O)O)c2n1
InChIInChI=1S/C18H23FN4O4/c1-18(2,3)27-17(26)23-7-5-22(6-8-23)15-12-10-21(4)20-14(12)11(16(24)25)9-13(15)19/h9-10H,5-8H2,1-4H3,(H,24,25)
InChIKeyGRCIPNMVNKECBV-UHFFFAOYSA-N
XLogP2.47
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
The IUPAC name of 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid (CID 167501092) is 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid.
What is the SMILES notation for 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
The canonical SMILES for 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid is Cn1cc2c(N3CCN(C(=O)OC(C)(C)C)CC3)c(F)cc(C(=O)O)c2n1.
What is the InChIKey of 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
The InChIKey is GRCIPNMVNKECBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O4/c1-18(2,3)27-17(26)23-7-5-22(6-8-23)15-12-10-21(4)20-14(12)11(16(24)25)9-13(15)19/h9-10H,5-8H2,1-4H3,(H,24,25).
What are the key properties of 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid?
5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid has a molecular weight of 378.40 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]indazole-7-carboxylic acid is sourced from PubChem (CID 167501092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).