tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate

C25H32FN7O4 — CID 172551800

IUPACtert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
SMILESCOc1nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)Nc1cc(F)c2nn(C)cc2c1
InChIInChI=1S/C25H32FN7O4/c1-25(2,3)37-24(35)33-9-7-17(8-10-33)32(5)23-27-13-18(22(29-23)36-6)21(34)28-16-11-15-14-31(4)30-20(15)19(26)12-16/h11-14,17H,7-10H2,1-6H3,(H,28,34)
InChIKeyBAYTYHFKOUWHEB-UHFFFAOYSA-N
MW513.57 g/mol
LogP3.60
Rot. Bonds5

About tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate

tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate (PubChem CID 172551800) has the molecular formula C25H32FN7O4 and a molecular weight of 513.57 g/mol. Its IUPAC name is tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
PubChem CID172551800
Molecular FormulaC25H32FN7O4
Molecular Weight513.57 g/mol
Exact Mass513.25
IUPAC Nametert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
SMILESCOc1nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)Nc1cc(F)c2nn(C)cc2c1
InChIInChI=1S/C25H32FN7O4/c1-25(2,3)37-24(35)33-9-7-17(8-10-33)32(5)23-27-13-18(22(29-23)36-6)21(34)28-16-11-15-14-31(4)30-20(15)19(26)12-16/h11-14,17H,7-10H2,1-6H3,(H,28,34)
InChIKeyBAYTYHFKOUWHEB-UHFFFAOYSA-N
XLogP3.60
TPSA114.71 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.57
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[4-amino-3-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]phenyl]piperazine-1-carboxylate
CID 156888251
tert-butyl (2S)-4-[4-ethoxy-5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]pyrimidin-2-yl]-2-methylpiperazine-1-carboxylate
CID 172551724
tert-butyl (3R)-3-[[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-methylamino]pyrrolidine-1-carboxylate
CID 168978617
tert-butyl 4-[[3-(7-fluoro-2-methylindazol-5-yl)-4-oxoquinazolin-6-yl]-methylamino]piperidine-1-carboxylate
CID 156888186
tert-butyl 4-[methyl-(5-methylpyrimidin-2-yl)amino]piperidine-1-carboxylate
CID 172906292
tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate
CID 176566663
6-[3-(dimethylamino)pyrrolidin-1-yl]-N-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747450
tert-butyl (3R)-3-[[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d]pyrimidin-6-yl]methyl]pyrrolidine-1-carboxylate
CID 177038429
tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
CID 168902406
tert-butyl 4-[7-(2,7-dimethylindazol-5-yl)-5,8-difluoro-4-oxoquinazolin-3-yl]piperidine-1-carboxylate
CID 168756161
tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
CID 167501543
tert-butyl 4-[methyl-(7-oxo-8H-1,8-naphthyridin-3-yl)amino]piperidine-1-carboxylate
CID 168978985

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate (CID 172551800) is tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate is COc1nc(N(C)C2CCN(C(=O)OC(C)(C)C)CC2)ncc1C(=O)Nc1cc(F)c2nn(C)cc2c1.
What is the InChIKey of tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate?
The InChIKey is BAYTYHFKOUWHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O4/c1-25(2,3)37-24(35)33-9-7-17(8-10-33)32(5)23-27-13-18(22(29-23)36-6)21(34)28-16-11-15-14-31(4)30-20(15)19(26)12-16/h11-14,17H,7-10H2,1-6H3,(H,28,34).
What are the key properties of tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate?
tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate has a molecular weight of 513.57 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 172551800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).