tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate

C23H33N3O4 — CID 135262488

IUPACtert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate
SMILESCc1cc2c(=O)[nH]n(C3CCCCO3)c2cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O4/c1-15-13-18-19(26(24-21(18)27)20-7-5-6-12-29-20)14-17(15)16-8-10-25(11-9-16)22(28)30-23(2,3)4/h13-14,16,20H,5-12H2,1-4H3,(H,24,27)
InChIKeyVNCGJVJZLADOGV-UHFFFAOYSA-N
MW415.53 g/mol
LogP4.45
Rot. Bonds2

About tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate

tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate (PubChem CID 135262488) has the molecular formula C23H33N3O4 and a molecular weight of 415.53 g/mol. Its IUPAC name is tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate
PubChem CID135262488
Molecular FormulaC23H33N3O4
Molecular Weight415.53 g/mol
Exact Mass415.25
IUPAC Nametert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate
SMILESCc1cc2c(=O)[nH]n(C3CCCCO3)c2cc1C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C23H33N3O4/c1-15-13-18-19(26(24-21(18)27)20-7-5-6-12-29-20)14-17(15)16-8-10-25(11-9-16)22(28)30-23(2,3)4/h13-14,16,20H,5-12H2,1-4H3,(H,24,27)
InChIKeyVNCGJVJZLADOGV-UHFFFAOYSA-N
XLogP4.45
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-5-methyl-4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]benzoic acid
CID 171905716
tert-butyl 4-[5-amino-1-(oxan-2-yl)indazol-6-yl]piperidine-1-carboxylate
CID 126486097
tert-butyl 4-(2-fluoro-4-methoxycarbonyl-5-methylphenyl)piperidine-1-carboxylate
CID 166077537
tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate
CID 155248638
tert-butyl 4-(4-oxo-3-azatricyclo[6.2.1.02,7]undeca-2(7),5-dien-5-yl)piperidine-1-carboxylate
CID 172562854
tert-butyl 4-(2-fluoro-5-methyl-3-pyridinyl)piperidine-1-carboxylate
CID 59505000
tert-butyl 3-(2-methyl-5-oxo-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 170985066
tert-butyl 4-(5-fluoro-1,2,3,4-tetrahydroquinolin-8-yl)piperidine-1-carboxylate
CID 130367085
tert-butyl 4-(oxan-2-yloxy)piperidine-1-carboxylate
CID 19019548
tert-butyl 4-[5-methyl-1-[2-methyl-6-[2-[[(2R)-oxan-2-yl]oxymethyl]morpholin-4-yl]pyrimidin-4-yl]indazol-6-yl]piperidine-1-carboxylate
CID 126485833
tert-butyl 4-(7-methyl-1H-indol-3-yl)piperidine-1-carboxylate
CID 143790491
tert-butyl 4-(3-methyl-6-oxo-5H-pyrido[2,3-b]pyrazin-7-yl)piperidine-1-carboxylate;ethane
CID 176552618

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate (CID 135262488) is tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate is Cc1cc2c(=O)[nH]n(C3CCCCO3)c2cc1C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate?
The InChIKey is VNCGJVJZLADOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O4/c1-15-13-18-19(26(24-21(18)27)20-7-5-6-12-29-20)14-17(15)16-8-10-25(11-9-16)22(28)30-23(2,3)4/h13-14,16,20H,5-12H2,1-4H3,(H,24,27).
What are the key properties of tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate has a molecular weight of 415.53 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-methyl-1-(oxan-2-yl)-3-oxo-2H-indazol-6-yl]piperidine-1-carboxylate is sourced from PubChem (CID 135262488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).