1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid

C24H27N3O4 — CID 24746486

IUPAC1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(C(=O)O)cc(-c4ccccc4)cc32)CC1
InChIInChI=1S/C24H27N3O4/c1-24(2,3)31-23(30)26-11-9-18(10-12-26)27-21-14-17(16-7-5-4-6-8-16)13-19(22(28)29)20(21)15-25-27/h4-8,13-15,18H,9-12H2,1-3H3,(H,28,29)
InChIKeyJRXQMZXYIOLGRY-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.97
Rot. Bonds3

About 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid

1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid (PubChem CID 24746486) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid
PubChem CID24746486
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid
SMILESCC(C)(C)OC(=O)N1CCC(n2ncc3c(C(=O)O)cc(-c4ccccc4)cc32)CC1
InChIInChI=1S/C24H27N3O4/c1-24(2,3)31-23(30)26-11-9-18(10-12-26)27-21-14-17(16-7-5-4-6-8-16)13-19(22(28)29)20(21)15-25-27/h4-8,13-15,18H,9-12H2,1-3H3,(H,28,29)
InChIKeyJRXQMZXYIOLGRY-UHFFFAOYSA-N
XLogP4.97
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid with MolForge

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Related Compounds

ethyl 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indazole-5-carboxylate
CID 118378622
tert-butyl 4-(4-acetyl-1-cyclopentylindazol-6-yl)piperazine-1-carboxylate
CID 130460166
tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118395458
tert-butyl 4-(6-chloropyrazolo[5,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 163560176
tert-butyl 4-(5-bromopyrazolo[3,4-b]pyridin-1-yl)piperidine-1-carboxylate
CID 167328407
tert-butyl 4-(3-carbamoyl-8-phenylpyrazolo[4,5-h]quinazolin-1-yl)piperidine-1-carboxylate
CID 67975533
tert-butyl 4-[2-(2-fluoro-3-methyl-5-phenylbenzoyl)hydrazinyl]sulfanylpiperidine-1-carboxylate
CID 142366186
tert-butyl 4-[5-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118382763
4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 142325362
2,6-dimethyl-4-[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyrazol-4-yl]benzoic acid
CID 172876934
tert-butyl 4-[4-(benzhydrylideneamino)-5-ethylpyrazol-1-yl]piperidine-1-carboxylate
CID 118961816
tert-butyl 4-(4-ethoxy-5-methylindazol-1-yl)piperidine-1-carboxylate;4-ethoxy-5-methyl-1-piperidin-4-ylindazole;methane;hydrochloride
CID 158034252

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid?
The IUPAC name of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid (CID 24746486) is 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid.
What is the SMILES notation for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid?
The canonical SMILES for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid is CC(C)(C)OC(=O)N1CCC(n2ncc3c(C(=O)O)cc(-c4ccccc4)cc32)CC1.
What is the InChIKey of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid?
The InChIKey is JRXQMZXYIOLGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-24(2,3)31-23(30)26-11-9-18(10-12-26)27-21-14-17(16-7-5-4-6-8-16)13-19(22(28)29)20(21)15-25-27/h4-8,13-15,18H,9-12H2,1-3H3,(H,28,29).
What are the key properties of 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid?
1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid has a molecular weight of 421.50 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-6-phenylindazole-4-carboxylic acid is sourced from PubChem (CID 24746486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).