tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate

C20H30N4O3 — CID 166536702

IUPACtert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1N
InChIInChI=1S/C20H30N4O3/c1-13(2)26-18-11-17-14(10-16(18)21)12-24(22-17)15-6-8-23(9-7-15)19(25)27-20(3,4)5/h10-13,15H,6-9,21H2,1-5H3
InChIKeyFCOQYXIHMHADBB-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.98
Rot. Bonds3

About tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate

tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate (PubChem CID 166536702) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate
PubChem CID166536702
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Nametert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)Oc1cc2nn(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1N
InChIInChI=1S/C20H30N4O3/c1-13(2)26-18-11-17-14(10-16(18)21)12-24(22-17)15-6-8-23(9-7-15)19(25)27-20(3,4)5/h10-13,15H,6-9,21H2,1-5H3
InChIKeyFCOQYXIHMHADBB-UHFFFAOYSA-N
XLogP3.98
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[4-[5-amino-6-(2-hydroxypropan-2-yl)indazol-2-yl]cyclohexyl]piperazine-1-carboxylate
CID 170436386
tert-butyl 4-[5-[6-(methoxymethoxy)-2-methylindazol-5-yl]pyrazolo[4,3-b]pyridin-2-yl]piperidine-1-carboxylate
CID 168902520
tert-butyl 4-(4-amino-3-propan-2-yloxyphenyl)piperidine-1-carboxylate;methane
CID 145172719
tert-butyl 4-(3-amino-4-bromopyrazol-1-yl)piperidine-1-carboxylate
CID 155194633
tert-butyl 4-(3-amino-4-carbamoylpyrazol-1-yl)piperidine-1-carboxylate
CID 177209110
tert-butyl 4-[5-nitro-6-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)indazol-2-yl]piperidine-1-carboxylate
CID 170740910
tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)pyrazolo[3,4-c]pyridin-2-yl]piperidine-1-carboxylate
CID 168902565
tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate
CID 174334228
tert-butyl 4-[4-(5-aminopyrazin-2-yl)-3-methylpyrazol-1-yl]piperidine-1-carboxylate
CID 139409469
tert-butyl 4-(4-aminoimidazol-1-yl)piperidine-1-carboxylate
CID 18969335
tert-butyl 3-[(3-amino-4-propan-2-yloxybenzoyl)amino]pyrrolidine-1-carboxylate
CID 171933166
tert-butyl 4-[2-[4-[6-methoxy-5-[(6-methylpyridine-2-carbonyl)amino]indazol-2-yl]piperidin-1-yl]ethyl]piperazine-1-carboxylate
CID 170051548

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate (CID 166536702) is tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate is CC(C)Oc1cc2nn(C3CCN(C(=O)OC(C)(C)C)CC3)cc2cc1N.
What is the InChIKey of tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate?
The InChIKey is FCOQYXIHMHADBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)26-18-11-17-14(10-16(18)21)12-24(22-17)15-6-8-23(9-7-15)19(25)27-20(3,4)5/h10-13,15H,6-9,21H2,1-5H3.
What are the key properties of tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate has a molecular weight of 374.49 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-amino-6-propan-2-yloxyindazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 166536702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).