6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid

C22H32N4O4 — CID 155390610

IUPAC6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid
SMILESCC(C)(C)Nc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)nn(C(=O)O)c2c1
InChIInChI=1S/C22H32N4O4/c1-21(2,3)23-15-7-8-16-17(13-15)26(19(27)28)24-18(16)14-9-11-25(12-10-14)20(29)30-22(4,5)6/h7-8,13-14,23H,9-12H2,1-6H3,(H,27,28)
InChIKeyYDLOTAIEOBQHMB-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.89
Rot. Bonds2

About 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid

6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid (PubChem CID 155390610) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid.

Molecular Properties

Compound Name6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid
PubChem CID155390610
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid
SMILESCC(C)(C)Nc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)nn(C(=O)O)c2c1
InChIInChI=1S/C22H32N4O4/c1-21(2,3)23-15-7-8-16-17(13-15)26(19(27)28)24-18(16)14-9-11-25(12-10-14)20(29)30-22(4,5)6/h7-8,13-14,23H,9-12H2,1-6H3,(H,27,28)
InChIKeyYDLOTAIEOBQHMB-UHFFFAOYSA-N
XLogP4.89
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
CID 165381985
tert-butyl 4-[4-bromo-2-(tert-butylamino)phenyl]piperidine-1-carboxylate
CID 170437093
tert-butyl 4-[5-(methylamino)-2-pyridinyl]piperidine-1-carboxylate
CID 167190668
tert-butyl 3-cyclohexyl-6-sulfamoyloxyindazole-1-carboxylate
CID 141143511
tert-butyl 4-(3-phenylpyrazin-2-yl)piperidine-1-carboxylate
CID 58547634
tert-butyl 4-[5-(trifluoromethyl)-1,2-benzoxazol-3-yl]piperidine-1-carboxylate
CID 58817530
tert-butyl 4-(1-methylpyrazol-3-yl)piperidine-1-carboxylate
CID 122270741
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
tert-butyl 4-(3-amino-6-chloro-2-pyridinyl)piperidine-1-carboxylate
CID 170307138
tert-butyl 4-[3-[4-(trifluoromethyl)anilino]pyrazin-2-yl]piperidine-1-carboxylate
CID 170172496
tert-butyl 4-[(4-bromoanilino)methyl]piperidine-1-carboxylate
CID 57355338
tert-butyl 3-[4-(methylamino)phenyl]pyrrolidine-1-carboxylate
CID 58315636

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid?
The IUPAC name of 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid (CID 155390610) is 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid.
What is the SMILES notation for 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid?
The canonical SMILES for 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid is CC(C)(C)Nc1ccc2c(C3CCN(C(=O)OC(C)(C)C)CC3)nn(C(=O)O)c2c1.
What is the InChIKey of 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid?
The InChIKey is YDLOTAIEOBQHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-21(2,3)23-15-7-8-16-17(13-15)26(19(27)28)24-18(16)14-9-11-25(12-10-14)20(29)30-22(4,5)6/h7-8,13-14,23H,9-12H2,1-6H3,(H,27,28).
What are the key properties of 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid?
6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid has a molecular weight of 416.52 g/mol, XLogP of 4.89, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-1-carboxylic acid is sourced from PubChem (CID 155390610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).