2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid

C23H34N4O4 — CID 167501434

IUPAC2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid
SMILESCCn1cc2c(N3CCC(CC)(N(C)C(=O)OC(C)(C)C)CC3)ccc(C(=O)O)c2n1
InChIInChI=1S/C23H34N4O4/c1-7-23(25(6)21(30)31-22(3,4)5)11-13-26(14-12-23)18-10-9-16(20(28)29)19-17(18)15-27(8-2)24-19/h9-10,15H,7-8,11-14H2,1-6H3,(H,28,29)
InChIKeyUWWZBVBKPAKRKZ-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.37
Rot. Bonds5

About 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid

2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid (PubChem CID 167501434) has the molecular formula C23H34N4O4 and a molecular weight of 430.55 g/mol. Its IUPAC name is 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid
PubChem CID167501434
Molecular FormulaC23H34N4O4
Molecular Weight430.55 g/mol
Exact Mass430.26
IUPAC Name2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid
SMILESCCn1cc2c(N3CCC(CC)(N(C)C(=O)OC(C)(C)C)CC3)ccc(C(=O)O)c2n1
InChIInChI=1S/C23H34N4O4/c1-7-23(25(6)21(30)31-22(3,4)5)11-13-26(14-12-23)18-10-9-16(20(28)29)19-17(18)15-27(8-2)24-19/h9-10,15H,7-8,11-14H2,1-6H3,(H,28,29)
InChIKeyUWWZBVBKPAKRKZ-UHFFFAOYSA-N
XLogP4.37
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid?
The IUPAC name of 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid (CID 167501434) is 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid.
What is the SMILES notation for 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid?
The canonical SMILES for 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid is CCn1cc2c(N3CCC(CC)(N(C)C(=O)OC(C)(C)C)CC3)ccc(C(=O)O)c2n1.
What is the InChIKey of 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid?
The InChIKey is UWWZBVBKPAKRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O4/c1-7-23(25(6)21(30)31-22(3,4)5)11-13-26(14-12-23)18-10-9-16(20(28)29)19-17(18)15-27(8-2)24-19/h9-10,15H,7-8,11-14H2,1-6H3,(H,28,29).
What are the key properties of 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid?
2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid has a molecular weight of 430.55 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-ethyl-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]indazole-7-carboxylic acid is sourced from PubChem (CID 167501434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).