tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

C25H25N7O3 — CID 44574711

IUPACtert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(-c4cn[nH]c4)cc3)c3ccccc23)n1
InChIInChI=1S/C25H25N7O3/c1-25(2,3)34-24(33)26-14-21-29-23(35-31-21)22-19-6-4-5-7-20(19)32(30-22)15-16-8-10-17(11-9-16)18-12-27-28-13-18/h4-13H,14-15H2,1-3H3,(H,26,33)(H,27,28)
InChIKeyQISYHKKQSCHVFV-UHFFFAOYSA-N
MW471.52 g/mol
LogP4.55
Rot. Bonds6

About tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate

tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (PubChem CID 44574711) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
PubChem CID44574711
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Nametert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(-c4cn[nH]c4)cc3)c3ccccc23)n1
InChIInChI=1S/C25H25N7O3/c1-25(2,3)34-24(33)26-14-21-29-23(35-31-21)22-19-6-4-5-7-20(19)32(30-22)15-16-8-10-17(11-9-16)18-12-27-28-13-18/h4-13H,14-15H2,1-3H3,(H,26,33)(H,27,28)
InChIKeyQISYHKKQSCHVFV-UHFFFAOYSA-N
XLogP4.55
TPSA123.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate with MolForge

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Related Compounds

tert-butyl N-[[5-(1-acetylindazol-3-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 42637281
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tert-butyl N-[3-[[4-[1-(2-trimethylsilylethoxymethyl)indazol-3-yl]benzoyl]amino]propyl]carbamate
CID 54577000
tert-butyl N-(1H-indazol-5-ylmethyl)carbamate
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tert-butyl N-[[4-[5-(methylamino)-1H-pyrrol-3-yl]phenyl]methyl]carbamate
CID 141329791
tert-butyl N-[[4-(4-chlorophenyl)phenyl]methyl]carbamate
CID 52904827
tert-butyl N-[(4-pyridin-2-ylphenyl)methyl]carbamate
CID 86071310
tert-butyl N-[[4-(3-methoxy-4-oxophthalazin-1-yl)phenyl]methyl]carbamate
CID 175824331
tert-butyl N-[[5-(2-oxo-3H-1,3-benzoxazol-4-yl)-1,2,4-oxadiazol-3-yl]methyl]carbamate
CID 146135327
[4-(1H-pyrazol-4-yl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 68564151
N-[3-[[3-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]indazol-1-yl]methyl]phenyl]butanamide
CID 155682509
tert-butyl N-[2-[5-[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]-1,2,4-oxadiazol-3-yl]ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate (CID 44574711) is tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is CC(C)(C)OC(=O)NCc1noc(-c2nn(Cc3ccc(-c4cn[nH]c4)cc3)c3ccccc23)n1.
What is the InChIKey of tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
The InChIKey is QISYHKKQSCHVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-25(2,3)34-24(33)26-14-21-29-23(35-31-21)22-19-6-4-5-7-20(19)32(30-22)15-16-8-10-17(11-9-16)18-12-27-28-13-18/h4-13H,14-15H2,1-3H3,(H,26,33)(H,27,28).
What are the key properties of tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate?
tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate has a molecular weight of 471.52 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[5-[1-[[4-(1H-pyrazol-4-yl)phenyl]methyl]indazol-3-yl]-1,2,4-oxadiazol-3-yl]methyl]carbamate is sourced from PubChem (CID 44574711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).