2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid

C19H19FN4O2 — CID 42652475

IUPAC2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)C(c1c[nH]c2cc(F)ccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H19FN4O2/c20-13-4-5-14-15(12-22-16(14)11-13)18(19(25)26)24-9-7-23(8-10-24)17-3-1-2-6-21-17/h1-6,11-12,18,22H,7-10H2,(H,25,26)
InChIKeyDKSOFQBIQSYIHF-UHFFFAOYSA-N
MW354.39 g/mol
LogP2.65
Rot. Bonds4

About 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid

2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid (PubChem CID 42652475) has the molecular formula C19H19FN4O2 and a molecular weight of 354.39 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
PubChem CID42652475
Molecular FormulaC19H19FN4O2
Molecular Weight354.39 g/mol
Exact Mass354.15
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
SMILESO=C(O)C(c1c[nH]c2cc(F)ccc12)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C19H19FN4O2/c20-13-4-5-14-15(12-22-16(14)11-13)18(19(25)26)24-9-7-23(8-10-24)17-3-1-2-6-21-17/h1-6,11-12,18,22H,7-10H2,(H,25,26)
InChIKeyDKSOFQBIQSYIHF-UHFFFAOYSA-N
XLogP2.65
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.39
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 29128233
(2S)-2-[1-(carboxymethyl)-6-fluoroindol-3-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid
CID 51974359
(2R)-2-(4-benzylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 29112289
(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
CID 29126778
(2R)-2-(4-benzo[b][1,4]benzoxazepin-6-ylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 29128088
(2R)-2-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 39340993
2-(1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetic acid
CID 42653100
(E)-4-[[3-[(S)-carboxy-(4-pyridin-2-ylpiperazin-1-yl)methyl]-1H-indol-5-yl]amino]-4-oxobut-2-enoic acid
CID 39046991
(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(pyridin-3-ylmethyl)piperazin-1-yl]acetic acid
CID 29128823
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42581936
2-(6-chloro-1H-indol-3-yl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetic acid
CID 42652505
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42652263

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid (CID 42652475) is 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid is O=C(O)C(c1c[nH]c2cc(F)ccc12)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
The InChIKey is DKSOFQBIQSYIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O2/c20-13-4-5-14-15(12-22-16(14)11-13)18(19(25)26)24-9-7-23(8-10-24)17-3-1-2-6-21-17/h1-6,11-12,18,22H,7-10H2,(H,25,26).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid?
2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid has a molecular weight of 354.39 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetic acid is sourced from PubChem (CID 42652475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).