5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

C18H17FN4O2 — CID 122057491

IUPAC5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C18H17FN4O2/c19-12-1-2-15-13(7-12)14(8-20-15)11-3-5-23(6-4-11)17-10-21-16(9-22-17)18(24)25/h1-2,7-11,20H,3-6H2,(H,24,25)
InChIKeyCXXANFBQQZMGSM-UHFFFAOYSA-N
MW340.36 g/mol
LogP3.18
Rot. Bonds3

About 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid

5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122057491) has the molecular formula C18H17FN4O2 and a molecular weight of 340.36 g/mol. Its IUPAC name is 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122057491
Molecular FormulaC18H17FN4O2
Molecular Weight340.36 g/mol
Exact Mass340.13
IUPAC Name5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cn1
InChIInChI=1S/C18H17FN4O2/c19-12-1-2-15-13(7-12)14(8-20-15)11-3-5-23(6-4-11)17-10-21-16(9-22-17)18(24)25/h1-2,7-11,20H,3-6H2,(H,24,25)
InChIKeyCXXANFBQQZMGSM-UHFFFAOYSA-N
XLogP3.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.36
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

cyclobutyl-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087422
2-(5-fluoro-1H-indol-3-yl)-1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]ethanone
CID 67623901
5-[4-(2,5-difluorophenyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122048866
tert-butyl 4-(5-fluoro-1H-indol-3-yl)piperidine-1-carboxylate
CID 22714417
4-[4-(6-fluoro-1H-indol-3-yl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673262
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 113087417
(3,4-dimethoxyphenyl)-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]methanone
CID 113087390
5-[4-(1H-pyrazol-4-yl)piperidin-1-yl]pyrazine-2-carboxylic acid
CID 122053457
[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-(3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridin-5-yl)methanone
CID 154860298
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-2-(2-methylphenyl)ethanone
CID 113087415
2-[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]acetic acid
CID 141141567
3-[1-(cyclooctylmethyl)piperidin-4-yl]-5-fluoro-1H-indole
CID 16665917

Frequently Asked Questions

What is the IUPAC name of 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid (CID 122057491) is 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)cn1.
What is the InChIKey of 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is CXXANFBQQZMGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O2/c19-12-1-2-15-13(7-12)14(8-20-15)11-3-5-23(6-4-11)17-10-21-16(9-22-17)18(24)25/h1-2,7-11,20H,3-6H2,(H,24,25).
What are the key properties of 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid?
5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 340.36 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122057491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).