tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate

C30H34N4O4 — CID 175601463

IUPACtert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc3cnn(Cc4ccccc4)c3c2)c(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C30H34N4O4/c1-30(2,3)38-29(36)33-14-12-24(13-15-33)37-27-17-28(35)32(4)20-25(27)22-10-11-23-18-31-34(26(23)16-22)19-21-8-6-5-7-9-21/h5-11,16-18,20,24H,12-15,19H2,1-4H3
InChIKeyAKYSIXKJIXXKKU-UHFFFAOYSA-N
MW514.63 g/mol
LogP5.23
Rot. Bonds5

About tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate

tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate (PubChem CID 175601463) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
PubChem CID175601463
Molecular FormulaC30H34N4O4
Molecular Weight514.63 g/mol
Exact Mass514.26
IUPAC Nametert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate
SMILESCn1cc(-c2ccc3cnn(Cc4ccccc4)c3c2)c(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1=O
InChIInChI=1S/C30H34N4O4/c1-30(2,3)38-29(36)33-14-12-24(13-15-33)37-27-17-28(35)32(4)20-25(27)22-10-11-23-18-31-34(26(23)16-22)19-21-8-6-5-7-9-21/h5-11,16-18,20,24H,12-15,19H2,1-4H3
InChIKeyAKYSIXKJIXXKKU-UHFFFAOYSA-N
XLogP5.23
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.63
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]cyclohexyl]methanesulfonamide
CID 175601465
5-(1-benzylindazol-6-yl)-1-methylpyridin-2-one
CID 175983877
tert-butyl 4-(2-phenylmethoxyphenoxy)piperidine-1-carboxylate
CID 67313124
tert-butyl 4-[1-[(4-methoxyphenyl)methyl]indazol-6-yl]piperazine-1-carboxylate
CID 59781293
tert-butyl 4-(4-amino-5-fluoropyrimidin-2-yl)oxypiperidine-1-carboxylate;ethane;triphenylphosphane
CID 143702973
tert-butyl 4-[4-(2-methylphenyl)-2-pyridin-2-ylphenoxy]piperidine-1-carboxylate
CID 175122139
4-cyclopropyloxy-1-methyl-5-[1-(1-phenylethyl)pyrazol-4-yl]pyridin-2-one
CID 135355380
tert-butyl 4-[2-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]ethynyl]piperidine-1-carboxylate
CID 168926669
tert-butyl 4-[3-[4-(1,3-dioxoisoindol-2-yl)but-1-ynyl]phenoxy]piperidine-1-carboxylate
CID 67203241
tert-butyl 4-[(2,6-dichloro-4-pyridinyl)oxy]piperidine-1-carboxylate
CID 139300514
tert-butyl 4-[3-(6-oxo-1-propan-2-ylpyridazin-3-yl)-2-phenylpyrazolo[1,5-a]pyridin-5-yl]oxypiperidine-1-carboxylate
CID 86592768
tert-butyl 4-[6-(6-fluoro-1H-indol-3-yl)indazol-1-yl]piperidine-1-carboxylate
CID 118395458

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate (CID 175601463) is tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate is Cn1cc(-c2ccc3cnn(Cc4ccccc4)c3c2)c(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1=O.
What is the InChIKey of tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
The InChIKey is AKYSIXKJIXXKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-30(2,3)38-29(36)33-14-12-24(13-15-33)37-27-17-28(35)32(4)20-25(27)22-10-11-23-18-31-34(26(23)16-22)19-21-8-6-5-7-9-21/h5-11,16-18,20,24H,12-15,19H2,1-4H3.
What are the key properties of tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate?
tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate has a molecular weight of 514.63 g/mol, XLogP of 5.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-(1-benzylindazol-6-yl)-1-methyl-2-oxo-4-pyridinyl]oxy]piperidine-1-carboxylate is sourced from PubChem (CID 175601463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).