tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate

C19H24F3N5O3 — CID 89496843

IUPACtert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate
SMILESCN(CC(=O)NC1CN(C(=O)OC(C)(C)C)C1)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H24F3N5O3/c1-18(2,3)30-17(29)27-8-12(9-27)23-15(28)10-26(4)16-13-7-11(19(20,21)22)5-6-14(13)24-25-16/h5-7,12H,8-10H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyUGZQGORWVPVDGQ-UHFFFAOYSA-N
MW427.43 g/mol
LogP2.75
Rot. Bonds4

About tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate

tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate (PubChem CID 89496843) has the molecular formula C19H24F3N5O3 and a molecular weight of 427.43 g/mol. Its IUPAC name is tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate
PubChem CID89496843
Molecular FormulaC19H24F3N5O3
Molecular Weight427.43 g/mol
Exact Mass427.18
IUPAC Nametert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate
SMILESCN(CC(=O)NC1CN(C(=O)OC(C)(C)C)C1)c1n[nH]c2ccc(C(F)(F)F)cc12
InChIInChI=1S/C19H24F3N5O3/c1-18(2,3)30-17(29)27-8-12(9-27)23-15(28)10-26(4)16-13-7-11(19(20,21)22)5-6-14(13)24-25-16/h5-7,12H,8-10H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyUGZQGORWVPVDGQ-UHFFFAOYSA-N
XLogP2.75
TPSA90.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.43
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 3-[[2-[phenylmethoxycarbonyl-[7-(trifluoromethyl)isoquinolin-1-yl]amino]acetyl]amino]azetidine-1-carboxylate
CID 70642031
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tert-butyl 3-[[2-[4-bromo-3-(trifluoromethyl)phenoxy]acetyl]amino]azetidine-1-carboxylate
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tert-butyl 3-[2-(ethoxycarbonylamino)-4-(trifluoromethyl)phenoxy]azetidine-1-carboxylate
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tert-butyl (3R,4R)-3-(aminomethyl)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-1-carboxylate
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tert-butyl 3-[2-chloro-4-(trifluoromethyl)phenyl]sulfanylazetidine-1-carboxylate
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CID 150216462
tert-butyl (3R)-4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-hydroxypiperidine-1-carboxylate
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tert-butyl 4-[2-bromo-5-(trifluoromethyl)anilino]piperidine-1-carboxylate
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tert-butyl 4-[3,6-bis(trifluoromethyl)carbazol-9-yl]-3-hydroxypiperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate (CID 89496843) is tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate is CN(CC(=O)NC1CN(C(=O)OC(C)(C)C)C1)c1n[nH]c2ccc(C(F)(F)F)cc12.
What is the InChIKey of tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate?
The InChIKey is UGZQGORWVPVDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O3/c1-18(2,3)30-17(29)27-8-12(9-27)23-15(28)10-26(4)16-13-7-11(19(20,21)22)5-6-14(13)24-25-16/h5-7,12H,8-10H2,1-4H3,(H,23,28)(H,24,25).
What are the key properties of tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate?
tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate has a molecular weight of 427.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-[methyl-[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetyl]amino]azetidine-1-carboxylate is sourced from PubChem (CID 89496843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).