4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide

C18H18FN5O — CID 11233071

IUPAC4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18FN5O/c19-14-6-2-4-8-16(14)23-9-11-24(12-10-23)18(25)20-17-13-5-1-3-7-15(13)21-22-17/h1-8H,9-12H2,(H2,20,21,22,25)
InChIKeyYPANDWFMFYMCAU-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.06
Rot. Bonds2

About 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide

4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide (PubChem CID 11233071) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
PubChem CID11233071
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C18H18FN5O/c19-14-6-2-4-8-16(14)23-9-11-24(12-10-23)18(25)20-17-13-5-1-3-7-15(13)21-22-17/h1-8H,9-12H2,(H2,20,21,22,25)
InChIKeyYPANDWFMFYMCAU-UHFFFAOYSA-N
XLogP3.06
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide (CID 11233071) is 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide is O=C(Nc1n[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
The InChIKey is YPANDWFMFYMCAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-14-6-2-4-8-16(14)23-9-11-24(12-10-23)18(25)20-17-13-5-1-3-7-15(13)21-22-17/h1-8H,9-12H2,(H2,20,21,22,25).
What are the key properties of 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide?
4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide has a molecular weight of 339.37 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-N-(1H-indazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 11233071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).