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

C19H28FN5O2 — CID 176566663

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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