[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone

C19H18F3N5O3 — CID 86958970

IUPAC[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)n1
InChIInChI=1S/C19H18F3N5O3/c1-29-17-11-23-10-16(25-17)26-4-6-27(7-5-26)18(28)15-8-12-2-3-13(9-14(12)24-15)30-19(20,21)22/h2-3,8-11,24H,4-7H2,1H3
InChIKeyUOHZTFKZAMRVHG-UHFFFAOYSA-N
MW421.38 g/mol
LogP2.83
Rot. Bonds4

About [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone

[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone (PubChem CID 86958970) has the molecular formula C19H18F3N5O3 and a molecular weight of 421.38 g/mol. Its IUPAC name is [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone.

Molecular Properties

Compound Name[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
PubChem CID86958970
Molecular FormulaC19H18F3N5O3
Molecular Weight421.38 g/mol
Exact Mass421.14
IUPAC Name[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)n1
InChIInChI=1S/C19H18F3N5O3/c1-29-17-11-23-10-16(25-17)26-4-6-27(7-5-26)18(28)15-8-12-2-3-13(9-14(12)24-15)30-19(20,21)22/h2-3,8-11,24H,4-7H2,1H3
InChIKeyUOHZTFKZAMRVHG-UHFFFAOYSA-N
XLogP2.83
TPSA83.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.38
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]piperazin-1-yl]benzamide
CID 86969214
[4-(4-fluorophenyl)-1,4-diazepan-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 86821428
(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958830
(6-methoxy-1H-indol-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 4909282
(6-methoxy-1H-indol-2-yl)-[4-[5-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-2-pyridinyl]piperazin-1-yl]methanone
CID 90491605
[4-(4-methoxyphenyl)piperazin-1-yl]-(6-methyl-1H-indol-2-yl)methanone
CID 113207332
[4-(oxan-4-yloxy)piperidin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone
CID 99809959
(6-methoxy-1H-indol-2-yl)-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56537116
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
3-fluoro-1-[6-(trifluoromethoxy)-1H-indole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 119258701
1-[4-(6-methoxy-1H-indole-2-carbonyl)piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 38494769
(6-methyl-1H-indol-2-yl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 55559581

Frequently Asked Questions

What is the IUPAC name of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
The IUPAC name of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone (CID 86958970) is [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone.
What is the SMILES notation for [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
The canonical SMILES for [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone is COc1cncc(N2CCN(C(=O)c3cc4ccc(OC(F)(F)F)cc4[nH]3)CC2)n1.
What is the InChIKey of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
The InChIKey is UOHZTFKZAMRVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O3/c1-29-17-11-23-10-16(25-17)26-4-6-27(7-5-26)18(28)15-8-12-2-3-13(9-14(12)24-15)30-19(20,21)22/h2-3,8-11,24H,4-7H2,1H3.
What are the key properties of [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone?
[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone has a molecular weight of 421.38 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-methoxypyrazin-2-yl)piperazin-1-yl]-[6-(trifluoromethoxy)-1H-indol-2-yl]methanone is sourced from PubChem (CID 86958970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).