tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate

C18H23FN4O3 — CID 24968810

IUPACtert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1
InChIInChI=1S/C18H23FN4O3/c1-18(2,3)26-17(25)22-6-4-5-13(10-22)23-9-11-7-12(19)8-14(16(20)24)15(11)21-23/h7-9,13H,4-6,10H2,1-3H3,(H2,20,24)
InChIKeyQMACURVLGSXGQY-UHFFFAOYSA-N
MW362.41 g/mol
LogP2.85
Rot. Bonds2

About tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate

tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate (PubChem CID 24968810) has the molecular formula C18H23FN4O3 and a molecular weight of 362.41 g/mol. Its IUPAC name is tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate
PubChem CID24968810
Molecular FormulaC18H23FN4O3
Molecular Weight362.41 g/mol
Exact Mass362.18
IUPAC Nametert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1
InChIInChI=1S/C18H23FN4O3/c1-18(2,3)26-17(25)22-6-4-5-13(10-22)23-9-11-7-12(19)8-14(16(20)24)15(11)21-23/h7-9,13H,4-6,10H2,1-3H3,(H2,20,24)
InChIKeyQMACURVLGSXGQY-UHFFFAOYSA-N
XLogP2.85
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate (CID 24968810) is tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(n2cc3cc(F)cc(C(N)=O)c3n2)C1.
What is the InChIKey of tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate?
The InChIKey is QMACURVLGSXGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O3/c1-18(2,3)26-17(25)22-6-4-5-13(10-22)23-9-11-7-12(19)8-14(16(20)24)15(11)21-23/h7-9,13H,4-6,10H2,1-3H3,(H2,20,24).
What are the key properties of tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate?
tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate has a molecular weight of 362.41 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-carbamoyl-5-fluoroindazol-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 24968810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).