tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate

C77H101F3N18O13 — CID 157386605

IUPACtert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCC(=O)COC(=O)N1CCC(N2CCC(c3nc(-n4nc(C(C)(C)O)c5cccc(F)c54)no3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCC(c3nc(-n4nc(C(C)(C)O)c5cccc(F)c54)no3)CC2)CC1.CC(C)(O)c1nn(-c2noc(C3CCN(C4CCN(C(=O)CO)CC4)CC3)n2)c2c(F)cccc12
InChIInChI=1S/C27H37FN6O4.C26H33FN6O5.C24H31FN6O4/c1-26(2,3)37-25(35)33-15-11-18(12-16-33)32-13-9-17(10-14-32)23-29-24(31-38-23)34-21-19(7-6-8-20(21)28)22(30-34)27(4,5)36;1-16(34)15-37-25(35)32-13-9-18(10-14-32)31-11-7-17(8-12-31)23-28-24(30-38-23)33-21-19(5-4-6-20(21)27)22(29-33)26(2,3)36;1-24(2,34)21-17-4-3-5-18(25)20(17)31(27-21)23-26-22(35-28-23)15-6-10-29(11-7-15)16-8-12-30(13-9-16)19(33)14-32/h6-8,17-18,36H,9-16H2,1-5H3;4-6,17-18,36H,7-15H2,1-3H3;3-5,15-16,32,34H,6-14H2,1-2H3
InChIKeyBLMXDABFWKSTBY-UHFFFAOYSA-N
MW1543.76 g/mol
LogP9.44
Rot. Bonds15

About tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate

tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate (PubChem CID 157386605) has the molecular formula C77H101F3N18O13 and a molecular weight of 1543.76 g/mol. Its IUPAC name is tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate
PubChem CID157386605
Molecular FormulaC77H101F3N18O13
Molecular Weight1543.76 g/mol
Exact Mass1542.77
IUPAC Nametert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate
SMILESCC(=O)COC(=O)N1CCC(N2CCC(c3nc(-n4nc(C(C)(C)O)c5cccc(F)c54)no3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCC(c3nc(-n4nc(C(C)(C)O)c5cccc(F)c54)no3)CC2)CC1.CC(C)(O)c1nn(-c2noc(C3CCN(C4CCN(C(=O)CO)CC4)CC3)n2)c2c(F)cccc12
InChIInChI=1S/C27H37FN6O4.C26H33FN6O5.C24H31FN6O4/c1-26(2,3)37-25(35)33-15-11-18(12-16-33)32-13-9-17(10-14-32)23-29-24(31-38-23)34-21-19(7-6-8-20(21)28)22(30-34)27(4,5)36;1-16(34)15-37-25(35)32-13-9-18(10-14-32)31-11-7-17(8-12-31)23-28-24(30-38-23)33-21-19(5-4-6-20(21)27)22(29-33)26(2,3)36;1-24(2,34)21-17-4-3-5-18(25)20(17)31(27-21)23-26-22(35-28-23)15-6-10-29(11-7-15)16-8-12-30(13-9-16)19(33)14-32/h6-8,17-18,36H,9-16H2,1-5H3;4-6,17-18,36H,7-15H2,1-3H3;3-5,15-16,32,34H,6-14H2,1-2H3
InChIKeyBLMXDABFWKSTBY-UHFFFAOYSA-N
XLogP9.44
TPSA357.32 Ų
H-Bond Donors4
H-Bond Acceptors28
Rotatable Bonds15
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001543.76
LogP ≤ 59.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1028

Analyze tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(dimethylamino)-1-[4-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 140634985
tert-butyl 4-[3-(3-methylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142719047
tert-butyl 4-[3-(6,7-difluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142718934
tert-butyl 4-[3-(3-ethyl-6-fluoroindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate;3-ethyl-6-fluoro-N'-hydroxyindazole-1-carboximidamide
CID 172942035
tert-butyl (3S)-3-[[(3R)-3-[[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrrolidin-1-yl]methyl]pyrrolidine-1-carboxylate
CID 142718941
tert-butyl 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 24803442
tert-butyl 4-[3-(6-oxa-1-azaspiro[3.3]heptan-1-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate
CID 142520820
tert-butyl 4-(2-fluoro-6-hydroxyphenyl)piperidine-1-carboxylate
CID 53485826
5-[1-(azetidin-3-ylmethyl)piperidin-4-yl]-3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazole
CID 71112378
tert-butyl 4-[2-(2-ethoxy-6-fluorophenoxy)-3-pyridinyl]piperidine-1-carboxylate
CID 143825057
tert-butyl 4-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]piperidine-1-carboxylate
CID 68778443
3-(7-fluoro-3-propan-2-ylindazol-1-yl)-5-piperidin-4-yl-1,2,4-oxadiazole;trans-(1S,2S)-2-[4-[3-(7-fluoro-3-propan-2-ylindazol-1-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 157328805

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate (CID 157386605) is tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate is CC(=O)COC(=O)N1CCC(N2CCC(c3nc(-n4nc(C(C)(C)O)c5cccc(F)c54)no3)CC2)CC1.CC(C)(C)OC(=O)N1CCC(N2CCC(c3nc(-n4nc(C(C)(C)O)c5cccc(F)c54)no3)CC2)CC1.CC(C)(O)c1nn(-c2noc(C3CCN(C4CCN(C(=O)CO)CC4)CC3)n2)c2c(F)cccc12.
What is the InChIKey of tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate?
The InChIKey is BLMXDABFWKSTBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37FN6O4.C26H33FN6O5.C24H31FN6O4/c1-26(2,3)37-25(35)33-15-11-18(12-16-33)32-13-9-17(10-14-32)23-29-24(31-38-23)34-21-19(7-6-8-20(21)28)22(30-34)27(4,5)36;1-16(34)15-37-25(35)32-13-9-18(10-14-32)31-11-7-17(8-12-31)23-28-24(30-38-23)33-21-19(5-4-6-20(21)27)22(29-33)26(2,3)36;1-24(2,34)21-17-4-3-5-18(25)20(17)31(27-21)23-26-22(35-28-23)15-6-10-29(11-7-15)16-8-12-30(13-9-16)19(33)14-32/h6-8,17-18,36H,9-16H2,1-5H3;4-6,17-18,36H,7-15H2,1-3H3;3-5,15-16,32,34H,6-14H2,1-2H3.
What are the key properties of tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate?
tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate has a molecular weight of 1543.76 g/mol, XLogP of 9.44, 15 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate;1-[4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]-2-hydroxyethanone;2-oxopropyl 4-[4-[3-[7-fluoro-3-(2-hydroxypropan-2-yl)indazol-1-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 157386605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).