(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Kw-2449
CID 11427553
N-[4-(3-amino-1H-indazol-4-yl)phenyl]benzamide
CID 16125109
N-(4-((4-ethylpiperazin-1-yl)methyl)-3-(trifluoromethyl)phenyl)-3-(3-(methylamino)-1H-indazol-6-yl)benzamide
CID 70682038
3-(3-amino-1H-indazol-6-yl)-N-[4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 70690446
1-[(2R)-4-benzoyl-2-methyl-piperazin-1-yl]-2-(1H-indazol-3-yl)ethane-1,2-dione
CID 6481410
4-Fluoro-N-[3-(1-methyl-piperidin-4-yl)-1H-indazol-5-yl]-benzamide
CID 9950390
N-(1-benzylpiperidin-4-yl)-1H-indazole-5-carboxamide
CID 22933917
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-2-(2-fluoroethylamino)-4-(4-methylpiperazin-1-yl)benzamide
CID 25174241
N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(phenylamino)benzamide
CID 25174394
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 25175712
2-Amino-N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 25175860
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-[(1-methylpiperidin-4-yl)amino]benzamide
CID 25176007

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).