(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone

C19H19FN4O — CID 118879516

IUPAC(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc12
InChIInChI=1S/C19H19FN4O/c20-14-7-4-12(5-8-14)17-3-1-2-10-24(17)19(25)13-6-9-16-15(11-13)18(21)23-22-16/h4-9,11,17H,1-3,10H2,(H3,21,22,23)/t17-/m0/s1
InChIKeyVXYMGUGNDZARSZ-KRWDZBQOSA-N
MW338.39 g/mol
LogP3.65
Rot. Bonds2

About (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone

(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone (PubChem CID 118879516) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone
PubChem CID118879516
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone
SMILESNc1n[nH]c2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc12
InChIInChI=1S/C19H19FN4O/c20-14-7-4-12(5-8-14)17-3-1-2-10-24(17)19(25)13-6-9-16-15(11-13)18(21)23-22-16/h4-9,11,17H,1-3,10H2,(H3,21,22,23)/t17-/m0/s1
InChIKeyVXYMGUGNDZARSZ-KRWDZBQOSA-N
XLogP3.65
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone?
The IUPAC name of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone (CID 118879516) is (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone?
The canonical SMILES for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone is Nc1n[nH]c2ccc(C(=O)N3CCCC[C@H]3c3ccc(F)cc3)cc12.
What is the InChIKey of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone?
The InChIKey is VXYMGUGNDZARSZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H19FN4O/c20-14-7-4-12(5-8-14)17-3-1-2-10-24(17)19(25)13-6-9-16-15(11-13)18(21)23-22-16/h4-9,11,17H,1-3,10H2,(H3,21,22,23)/t17-/m0/s1.
What are the key properties of (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone?
(3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone has a molecular weight of 338.39 g/mol, XLogP of 3.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1H-indazol-5-yl)-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone is sourced from PubChem (CID 118879516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).