tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate

C19H28FN5O2 — CID 176566663

IUPACtert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CNC[C@@H](CNc2cc(F)c3nn(C)cc3c2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28FN5O2/c1-12-8-21-9-15(25(12)18(26)27-19(2,3)4)10-22-14-6-13-11-24(5)23-17(13)16(20)7-14/h6-7,11-12,15,21-22H,8-10H2,1-5H3/t12-,15+/m1/s1
InChIKeyREGDCQRJLATUTP-DOMZBBRYSA-N
MW377.46 g/mol
LogP2.72
Rot. Bonds3

About tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate

tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate (PubChem CID 176566663) has the molecular formula C19H28FN5O2 and a molecular weight of 377.46 g/mol. Its IUPAC name is tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate
PubChem CID176566663
Molecular FormulaC19H28FN5O2
Molecular Weight377.46 g/mol
Exact Mass377.22
IUPAC Nametert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate
SMILESC[C@@H]1CNC[C@@H](CNc2cc(F)c3nn(C)cc3c2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C19H28FN5O2/c1-12-8-21-9-15(25(12)18(26)27-19(2,3)4)10-22-14-6-13-11-24(5)23-17(13)16(20)7-14/h6-7,11-12,15,21-22H,8-10H2,1-5H3/t12-,15+/m1/s1
InChIKeyREGDCQRJLATUTP-DOMZBBRYSA-N
XLogP2.72
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

N-[[(2S,6R)-1,6-dimethylpiperazin-2-yl]methyl]-7-fluoro-2-methylindazol-5-amine
CID 176566654
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 4-[[5-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]-4-methoxypyrimidin-2-yl]-methylamino]piperidine-1-carboxylate
CID 172551800
tert-butyl 2-methyl-6-(trifluoromethyl)piperazine-1-carboxylate
CID 130156653
tert-butyl 4-[4-amino-3-[(7-fluoro-2-methylindazol-5-yl)carbamoyl]phenyl]piperazine-1-carboxylate
CID 156888251
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 2-[(3,4,5-trifluoroanilino)methyl]pyrrolidine-1-carboxylate
CID 106638370
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 (2S,6S)-4-[8-fluoro-2-[6-(methoxymethoxy)-2,7-dimethylindazol-5-yl]quinolin-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168978237
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 (2S,6R)-4-[2-(7-methoxy-2-methylindazol-5-yl)imidazo[2,1-b][1,3]thiazol-6-yl]-2,6-dimethylpiperidine-1-carboxylate
CID 178050612
tert-butyl (2R,6S)-4-[8-fluoro-2-[6-(methoxymethoxy)-2-methylindazol-5-yl]quinolin-6-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 168977509

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate (CID 176566663) is tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate is C[C@@H]1CNC[C@@H](CNc2cc(F)c3nn(C)cc3c2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate?
The InChIKey is REGDCQRJLATUTP-DOMZBBRYSA-N. The full InChI is InChI=1S/C19H28FN5O2/c1-12-8-21-9-15(25(12)18(26)27-19(2,3)4)10-22-14-6-13-11-24(5)23-17(13)16(20)7-14/h6-7,11-12,15,21-22H,8-10H2,1-5H3/t12-,15+/m1/s1.
What are the key properties of tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate?
tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate has a molecular weight of 377.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,6R)-2-[[(7-fluoro-2-methylindazol-5-yl)amino]methyl]-6-methylpiperazine-1-carboxylate is sourced from PubChem (CID 176566663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).