N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine

C18H18FN3O — CID 45227325

IUPACN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine
SMILESFc1cccc(C2(CNc3ccc4[nH]ncc4c3)CCOC2)c1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-2-14(9-15)18(6-7-23-12-18)11-20-16-4-5-17-13(8-16)10-21-22-17/h1-5,8-10,20H,6-7,11-12H2,(H,21,22)
InChIKeyVZXPQJJEQSDNOJ-UHFFFAOYSA-N
MW311.36 g/mol
LogP3.47
Rot. Bonds4

About N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine

N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine (PubChem CID 45227325) has the molecular formula C18H18FN3O and a molecular weight of 311.36 g/mol. Its IUPAC name is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine
PubChem CID45227325
Molecular FormulaC18H18FN3O
Molecular Weight311.36 g/mol
Exact Mass311.14
IUPAC NameN-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine
SMILESFc1cccc(C2(CNc3ccc4[nH]ncc4c3)CCOC2)c1
InChIInChI=1S/C18H18FN3O/c19-15-3-1-2-14(9-15)18(6-7-23-12-18)11-20-16-4-5-17-13(8-16)10-21-22-17/h1-5,8-10,20H,6-7,11-12H2,(H,21,22)
InChIKeyVZXPQJJEQSDNOJ-UHFFFAOYSA-N
XLogP3.47
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine?
The IUPAC name of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine (CID 45227325) is N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine.
What is the SMILES notation for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine?
The canonical SMILES for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine is Fc1cccc(C2(CNc3ccc4[nH]ncc4c3)CCOC2)c1.
What is the InChIKey of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine?
The InChIKey is VZXPQJJEQSDNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O/c19-15-3-1-2-14(9-15)18(6-7-23-12-18)11-20-16-4-5-17-13(8-16)10-21-22-17/h1-5,8-10,20H,6-7,11-12H2,(H,21,22).
What are the key properties of N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine?
N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine has a molecular weight of 311.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-fluorophenyl)oxolan-3-yl]methyl]-1H-indazol-5-amine is sourced from PubChem (CID 45227325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).