1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

C22H21FN6 — CID 67959669

IUPAC1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cccc(F)c5)cc34)n2)CC1
InChIInChI=1S/C22H21FN6/c23-16-3-1-2-14(10-16)15-4-5-19-18(11-15)22(28-27-19)20-12-25-13-21(26-20)29-8-6-17(24)7-9-29/h1-5,10-13,17H,6-9,24H2,(H,27,28)
InChIKeyWQXYMINUYVLULB-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.75
Rot. Bonds3

About 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine

1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (PubChem CID 67959669) has the molecular formula C22H21FN6 and a molecular weight of 388.45 g/mol. Its IUPAC name is 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
PubChem CID67959669
Molecular FormulaC22H21FN6
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine
SMILESNC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cccc(F)c5)cc34)n2)CC1
InChIInChI=1S/C22H21FN6/c23-16-3-1-2-14(10-16)15-4-5-19-18(11-15)22(28-27-19)20-12-25-13-21(26-20)29-8-6-17(24)7-9-29/h1-5,10-13,17H,6-9,24H2,(H,27,28)
InChIKeyWQXYMINUYVLULB-UHFFFAOYSA-N
XLogP3.75
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-((1S)-1-(4-Fluorophenyl)ethyl)-4-(1-methyl-1H-pyrazol-4-yl)-N6-2-pyrazinyl-2,6-pyridinediamine
CID 46866319
Lorecivivint
CID 135565709
Ag-24322
CID 135413565
4-(6-(4-(1-Piperazinyl)phenyl)pyrazolo(1,5-a)pyrimidin-3-yl)quinoline
CID 25195294
N-[4-(dimethylphosphoryl)phenyl]-9-[(E)-2-(5-methyl-1H-indazol-4-yl)ethenyl]-9H-purin-6-amine
CID 44517648
N-[4-[(3S)-3-aminopiperidin-1-yl]-3-pyridinyl]-2-(2,6-difluorophenyl)imidazo[1,5-b]pyridazin-7-amine
CID 70984064
1-{6-[(3r)-4,4-Difluoropiperidin-3-Yl]pyridin-2-Yl}-6-(6-Methylpyrazin-2-Yl)-1h-Pyrazolo[4,3-C]pyridine
CID 89914568
Vlx-600
CID 6410104
6-[Difluoro-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline
CID 127045762
3-(1H-Indazol-5-yl)-N-propylimidazo(1,2-b)pyridazin-6-amine
CID 70679308
4-[1-(5,8-difluoroquinolin-4-yl)-2-methyl-4-(4H-1,2,4-triazol-3-yl)-1H-benzimidazol-6-yl]-3-fluoropyridin-2-amine
CID 134372959
N-[1-[1-[(3-fluorophenyl)methyl]imidazol-2-yl]-2-(7-methyl-1H-indazol-5-yl)ethyl]-4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidine-1-carboxamide
CID 11250445

Frequently Asked Questions

What is the IUPAC name of 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine (CID 67959669) is 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is NC1CCN(c2cncc(-c3n[nH]c4ccc(-c5cccc(F)c5)cc34)n2)CC1.
What is the InChIKey of 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
The InChIKey is WQXYMINUYVLULB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6/c23-16-3-1-2-14(10-16)15-4-5-19-18(11-15)22(28-27-19)20-12-25-13-21(26-20)29-8-6-17(24)7-9-29/h1-5,10-13,17H,6-9,24H2,(H,27,28).
What are the key properties of 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine?
1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine has a molecular weight of 388.45 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[5-(3-fluorophenyl)-1H-indazol-3-yl]pyrazin-2-yl]piperidin-4-amine is sourced from PubChem (CID 67959669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).