N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide

C20H21FN4O — CID 58135453

IUPACN-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2n[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C20H21FN4O/c1-13-8-10-25(11-9-13)20(26)22-19-17-7-4-15(12-18(17)23-24-19)14-2-5-16(21)6-3-14/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,26)
InChIKeyAJUNWOLQWUJDRB-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.63
Rot. Bonds2

About N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide

N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide (PubChem CID 58135453) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
PubChem CID58135453
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide
SMILESCC1CCN(C(=O)Nc2n[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1
InChIInChI=1S/C20H21FN4O/c1-13-8-10-25(11-9-13)20(26)22-19-17-7-4-15(12-18(17)23-24-19)14-2-5-16(21)6-3-14/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,26)
InChIKeyAJUNWOLQWUJDRB-UHFFFAOYSA-N
XLogP4.63
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide (CID 58135453) is N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide is CC1CCN(C(=O)Nc2n[nH]c3cc(-c4ccc(F)cc4)ccc23)CC1.
What is the InChIKey of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
The InChIKey is AJUNWOLQWUJDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-13-8-10-25(11-9-13)20(26)22-19-17-7-4-15(12-18(17)23-24-19)14-2-5-16(21)6-3-14/h2-7,12-13H,8-11H2,1H3,(H2,22,23,24,26).
What are the key properties of N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide?
N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide has a molecular weight of 352.41 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-fluorophenyl)-1H-indazol-3-yl]-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 58135453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).