5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)

C27H22ClF7N4O5 — CID 86709771

IUPAC5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
SMILESFc1cccc(Cl)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H20ClFN4O.2C2HF3O2/c24-18-4-1-5-19(25)23(18)14-6-7-20-16(9-14)17(11-28-20)21-12-27-13-22(29-21)30-15-3-2-8-26-10-15;2*3-2(4,5)1(6)7/h1,4-7,9,11-13,15,26,28H,2-3,8,10H2;2*(H,6,7)/t15-;;/m1../s1
InChIKeyDCEHZOSYAHHWFQ-QCUBGVIVSA-N
MW650.94 g/mol
LogP6.48
Rot. Bonds4

About 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)

5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid) (PubChem CID 86709771) has the molecular formula C27H22ClF7N4O5 and a molecular weight of 650.94 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
PubChem CID86709771
Molecular FormulaC27H22ClF7N4O5
Molecular Weight650.94 g/mol
Exact Mass650.12
IUPAC Name5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)
SMILESFc1cccc(Cl)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C23H20ClFN4O.2C2HF3O2/c24-18-4-1-5-19(25)23(18)14-6-7-20-16(9-14)17(11-28-20)21-12-27-13-22(29-21)30-15-3-2-8-26-10-15;2*3-2(4,5)1(6)7/h1,4-7,9,11-13,15,26,28H,2-3,8,10H2;2*(H,6,7)/t15-;;/m1../s1
InChIKeyDCEHZOSYAHHWFQ-QCUBGVIVSA-N
XLogP6.48
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.94
LogP ≤ 56.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid) 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

5-(2,6-difluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959597
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-[(3R)-pyrrolidin-3-yl]pyrazin-2-amine
CID 67959866
6-[5-(2,6-difluorophenyl)-1H-indol-3-yl]-N-piperidin-4-ylpyrazin-2-amine
CID 67959898
5-(2,6-difluorophenyl)-3-[6-(piperidin-3-ylmethyl)pyrazin-2-yl]-1H-indazole;bis(2,2,2-trifluoroacetic acid)
CID 88532891
5-(6-methoxy-2-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960019
5-phenyl-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960084
5-(5-fluoro-3-pyridinyl)-3-(6-piperidin-3-yloxypyrazin-2-yl)-1H-indazole
CID 67960267
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-pyridazin-3-yl-1H-indazole
CID 67960106
8-fluoro-6-piperidin-3-yloxyisoquinoline;2,2,2-trifluoroacetic acid
CID 71426992
5-(2,6-difluorophenyl)-3-[6-[(3S,4S)-4-methylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959616
5-(2,6-difluorophenyl)-3-[6-[(3R)-4,4-dimethylpiperidin-3-yl]oxypyrazin-2-yl]-1H-indazole
CID 67959780
3-(6-piperidin-3-yloxypyrazin-2-yl)-5-(2-propan-2-yloxypyrimidin-4-yl)-1H-indazole
CID 67959774

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid) (CID 86709771) is 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid) is Fc1cccc(Cl)c1-c1ccc2[nH]cc(-c3cncc(O[C@@H]4CCCNC4)n3)c2c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is DCEHZOSYAHHWFQ-QCUBGVIVSA-N. The full InChI is InChI=1S/C23H20ClFN4O.2C2HF3O2/c24-18-4-1-5-19(25)23(18)14-6-7-20-16(9-14)17(11-28-20)21-12-27-13-22(29-21)30-15-3-2-8-26-10-15;2*3-2(4,5)1(6)7/h1,4-7,9,11-13,15,26,28H,2-3,8,10H2;2*(H,6,7)/t15-;;/m1../s1.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid)?
5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 650.94 g/mol, XLogP of 6.48, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-3-[6-[(3R)-piperidin-3-yl]oxypyrazin-2-yl]-1H-indole;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 86709771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).