tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide

C18H25FN4O3 — CID 174579006

IUPACtert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide
SMILESCC(C)(C)OC=O.NC(=O)c1cc(F)cc2cn(C3CCNCC3)nc12
InChIInChI=1S/C13H15FN4O.C5H10O2/c14-9-5-8-7-18(10-1-3-16-4-2-10)17-12(8)11(6-9)13(15)19;1-5(2,3)7-4-6/h5-7,10,16H,1-4H2,(H2,15,19);4H,1-3H3
InChIKeyRWRMOMLGFPZALJ-UHFFFAOYSA-N
MW364.42 g/mol
LogP2.16
Rot. Bonds3

About tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide

tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide (PubChem CID 174579006) has the molecular formula C18H25FN4O3 and a molecular weight of 364.42 g/mol. Its IUPAC name is tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide.

Molecular Properties

Compound Nametert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide
PubChem CID174579006
Molecular FormulaC18H25FN4O3
Molecular Weight364.42 g/mol
Exact Mass364.19
IUPAC Nametert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide
SMILESCC(C)(C)OC=O.NC(=O)c1cc(F)cc2cn(C3CCNCC3)nc12
InChIInChI=1S/C13H15FN4O.C5H10O2/c14-9-5-8-7-18(10-1-3-16-4-2-10)17-12(8)11(6-9)13(15)19;1-5(2,3)7-4-6/h5-7,10,16H,1-4H2,(H2,15,19);4H,1-3H3
InChIKeyRWRMOMLGFPZALJ-UHFFFAOYSA-N
XLogP2.16
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-2-piperidin-1-ium-4-ylindazole-7-carboxamide;2,2,2-trifluoroacetate
CID 67339786
2-(1-ethylpiperidin-3-yl)-5-fluoroindazole-7-carboxamide
CID 24968124
2-(1-cyclohexylpiperidin-3-yl)-5-fluoroindazole-7-carboxamide
CID 24968466
5-fluoro-2-(1-propan-2-ylpyrrolidin-3-yl)indazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171925440
bis(tert-butyl formate);pyrrolidine-3-carboxamide
CID 175304917
5-fluoro-2-[4-[(3R)-piperidin-3-yl]phenyl]indazole-7-carboxamide
CID 24958203
2-[4-[(3R)-3-deuteriopiperidin-3-yl]phenyl]-5-fluoroindazole-7-carboxamide
CID 154588329
tert-butyl formate;1-(4-fluorophenyl)-3-piperidin-4-ylurea
CID 174569625
tert-butyl formate;carbamic acid;piperazine
CID 174978332
2-piperidin-3-ylindazole-7-carboxamide;2,2,2-trifluoroacetic acid
CID 171925444
tert-butyl formate;3-fluoro-5-piperidin-4-yloxybenzaldehyde
CID 174751525
4-amino-1-piperidin-4-ylpyrazole-3-carboxamide
CID 171058867

Frequently Asked Questions

What is the IUPAC name of tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide?
The IUPAC name of tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide (CID 174579006) is tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide.
What is the SMILES notation for tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide?
The canonical SMILES for tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide is CC(C)(C)OC=O.NC(=O)c1cc(F)cc2cn(C3CCNCC3)nc12.
What is the InChIKey of tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide?
The InChIKey is RWRMOMLGFPZALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O.C5H10O2/c14-9-5-8-7-18(10-1-3-16-4-2-10)17-12(8)11(6-9)13(15)19;1-5(2,3)7-4-6/h5-7,10,16H,1-4H2,(H2,15,19);4H,1-3H3.
What are the key properties of tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide?
tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide has a molecular weight of 364.42 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl formate;5-fluoro-2-piperidin-4-ylindazole-7-carboxamide is sourced from PubChem (CID 174579006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).