N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide

C20H21FN4O — CID 169208506

IUPACN-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C20H21FN4O/c1-25-10-8-13(9-11-25)20(26)22-19-16-12-14(6-7-18(16)23-24-19)15-4-2-3-5-17(15)21/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,26)
InChIKeyBHTHODIZYXGKTG-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.65
Rot. Bonds3

About N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide

N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 169208506) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID169208506
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccccc4F)cc23)CC1
InChIInChI=1S/C20H21FN4O/c1-25-10-8-13(9-11-25)20(26)22-19-16-12-14(6-7-18(16)23-24-19)15-4-2-3-5-17(15)21/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,26)
InChIKeyBHTHODIZYXGKTG-UHFFFAOYSA-N
XLogP3.65
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide (CID 169208506) is N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccccc4F)cc23)CC1.
What is the InChIKey of N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is BHTHODIZYXGKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-25-10-8-13(9-11-25)20(26)22-19-16-12-14(6-7-18(16)23-24-19)15-4-2-3-5-17(15)21/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 169208506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).