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

C24H26FN5O2S2 — CID 162433144

IUPACtert-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
SMILESCn1cc2cc(-c3nc4sc(N5CCC56CCN(C(=O)OC(C)(C)C)C6)cc4s3)cc(F)c2n1
InChIInChI=1S/C24H26FN5O2S2/c1-23(2,3)32-22(31)29-7-5-24(13-29)6-8-30(24)18-11-17-21(34-18)26-20(33-17)14-9-15-12-28(4)27-19(15)16(25)10-14/h9-12H,5-8,13H2,1-4H3
InChIKeySRHLPVQGJOIPHF-UHFFFAOYSA-N
MW499.64 g/mol
LogP5.64
Rot. Bonds2

About 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

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 (PubChem CID 162433144) has the molecular formula C24H26FN5O2S2 and a molecular weight of 499.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Nametert-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
PubChem CID162433144
Molecular FormulaC24H26FN5O2S2
Molecular Weight499.64 g/mol
Exact Mass499.15
IUPAC Nametert-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
SMILESCn1cc2cc(-c3nc4sc(N5CCC56CCN(C(=O)OC(C)(C)C)C6)cc4s3)cc(F)c2n1
InChIInChI=1S/C24H26FN5O2S2/c1-23(2,3)32-22(31)29-7-5-24(13-29)6-8-30(24)18-11-17-21(34-18)26-20(33-17)14-9-15-12-28(4)27-19(15)16(25)10-14/h9-12H,5-8,13H2,1-4H3
InChIKeySRHLPVQGJOIPHF-UHFFFAOYSA-N
XLogP5.64
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.64
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
CID 168902406
tert-butyl 4-[2-(4-fluoro-2-methyl-1,3-benzothiazol-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433314
tert-butyl (3R)-3-[[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-methylamino]pyrrolidine-1-carboxylate
CID 168978617
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 4-(6-bromo-4-fluoro-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxylate
CID 153383224
tert-butyl 4-hydroxy-4-[6-(2-methylindazol-5-yl)-1,3-benzothiazol-2-yl]piperidine-1-carboxylate
CID 151400391
tert-butyl 4-[2-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-d][1,3]thiazol-5-yl]piperidine-1-carboxylate
CID 162433134
tert-butyl (2S)-4-[7-(7-fluoro-2-methylindazol-5-yl)-1,8-naphthyridin-3-yl]-2-methylpiperazine-1-carboxylate
CID 168978822
tert-butyl 4-[7-fluoro-5-(2-methyl-1,3-benzothiazol-6-yl)indazol-2-yl]piperidine-1-carboxylate
CID 168902454
tert-butyl 4-[4-amino-3-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]phenyl]piperazine-1-carboxylate
CID 156888251

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cn1cc2cc(-c3nc4sc(N5CCC56CCN(C(=O)OC(C)(C)C)C6)cc4s3)cc(F)c2n1.
What is the InChIKey of 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?
The InChIKey is SRHLPVQGJOIPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2S2/c1-23(2,3)32-22(31)29-7-5-24(13-29)6-8-30(24)18-11-17-21(34-18)26-20(33-17)14-9-15-12-28(4)27-19(15)16(25)10-14/h9-12H,5-8,13H2,1-4H3.
What are the key properties of 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?
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 has a molecular weight of 499.64 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162433144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).