tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate

C27H29F2N5O2 — CID 168902406

IUPACtert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCn1cc2cc(-c3cc(F)c4nn(C5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)cc4c3)cc(F)c2n1
InChIInChI=1S/C27H29F2N5O2/c1-26(2,3)36-25(35)33-8-5-20(13-27(33)6-7-27)34-15-19-10-17(12-22(29)24(19)31-34)16-9-18-14-32(4)30-23(18)21(28)11-16/h9-12,14-15,20H,5-8,13H2,1-4H3
InChIKeyYILYWPGTRBWFBZ-UHFFFAOYSA-N
MW493.56 g/mol
LogP5.97
Rot. Bonds2

About tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate

tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate (PubChem CID 168902406) has the molecular formula C27H29F2N5O2 and a molecular weight of 493.56 g/mol. Its IUPAC name is tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
PubChem CID168902406
Molecular FormulaC27H29F2N5O2
Molecular Weight493.56 g/mol
Exact Mass493.23
IUPAC Nametert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
SMILESCn1cc2cc(-c3cc(F)c4nn(C5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)cc4c3)cc(F)c2n1
InChIInChI=1S/C27H29F2N5O2/c1-26(2,3)36-25(35)33-8-5-20(13-27(33)6-7-27)34-15-19-10-17(12-22(29)24(19)31-34)16-9-18-14-32(4)30-23(18)21(28)11-16/h9-12,14-15,20H,5-8,13H2,1-4H3
InChIKeyYILYWPGTRBWFBZ-UHFFFAOYSA-N
XLogP5.97
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.56
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[5-(2,8-dimethylimidazo[1,2-a]pyridin-6-yl)-7-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 168902369
tert-butyl 4-[7-fluoro-5-(2-methyl-1,3-benzothiazol-6-yl)indazol-2-yl]piperidine-1-carboxylate
CID 168902454
tert-butyl (2S)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-2-methylpiperazine-1-carboxylate
CID 168978822
tert-butyl 1-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]-1,7-diazaspiro[3.4]octane-7-carboxylate
CID 162433144
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-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]-2-methylpiperazine-1-carboxylate
CID 162433031
5-(7-fluoro-2-piperidin-4-ylindazol-5-yl)-2-methylindazole-7-carbonitrile
CID 168902318
tert-butyl (2S,6S)-4-[5-cyclopropyl-7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978963
tert-butyl N-ethyl-N-[1-[2-(7-fluoro-2-methylindazol-5-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidin-4-yl]carbamate
CID 162433196
tert-butyl 7-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-4,7-diazaspiro[2.5]octane-4-carboxylate
CID 168977836
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-(2-hydroxy-4-oxopyrido[1,2-a]pyrimidin-7-yl)-4-azaspiro[2.5]octane-4-carboxylate
CID 169178838

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate?
The IUPAC name of tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate (CID 168902406) is tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate.
What is the SMILES notation for tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate?
The canonical SMILES for tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate is Cn1cc2cc(-c3cc(F)c4nn(C5CCN(C(=O)OC(C)(C)C)C6(CC6)C5)cc4c3)cc(F)c2n1.
What is the InChIKey of tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate?
The InChIKey is YILYWPGTRBWFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O2/c1-26(2,3)36-25(35)33-8-5-20(13-27(33)6-7-27)34-15-19-10-17(12-22(29)24(19)31-34)16-9-18-14-32(4)30-23(18)21(28)11-16/h9-12,14-15,20H,5-8,13H2,1-4H3.
What are the key properties of tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate?
tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate has a molecular weight of 493.56 g/mol, XLogP of 5.97, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate is sourced from PubChem (CID 168902406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).