2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid

C17H14FN3O3 — CID 135182770

IUPAC2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid
SMILESCC(=O)c1cn(CC(=O)O)c2ccc(Nc3cncc(F)c3)cc12
InChIInChI=1S/C17H14FN3O3/c1-10(22)15-8-21(9-17(23)24)16-3-2-12(5-14(15)16)20-13-4-11(18)6-19-7-13/h2-8,20H,9H2,1H3,(H,23,24)
InChIKeyXVPAEZFGGJWAQY-UHFFFAOYSA-N
MW327.32 g/mol
LogP3.21
Rot. Bonds5

About 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid

2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid (PubChem CID 135182770) has the molecular formula C17H14FN3O3 and a molecular weight of 327.32 g/mol. Its IUPAC name is 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid
PubChem CID135182770
Molecular FormulaC17H14FN3O3
Molecular Weight327.32 g/mol
Exact Mass327.10
IUPAC Name2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid
SMILESCC(=O)c1cn(CC(=O)O)c2ccc(Nc3cncc(F)c3)cc12
InChIInChI=1S/C17H14FN3O3/c1-10(22)15-8-21(9-17(23)24)16-3-2-12(5-14(15)16)20-13-4-11(18)6-19-7-13/h2-8,20H,9H2,1H3,(H,23,24)
InChIKeyXVPAEZFGGJWAQY-UHFFFAOYSA-N
XLogP3.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetic acid
CID 130299911
2-[3-carbamoyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetic acid
CID 130299828
2-(3-acetyl-5-bromoindol-1-yl)acetic acid
CID 83948120
2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]-N-[2-(3-chloro-2-fluoroanilino)-2-oxoethyl]-N-propan-2-ylacetamide
CID 130300078
2-[3-acetyl-5-(5-chloro-6-methyl-3-pyridinyl)indol-1-yl]acetic acid
CID 126643069
(2S)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-N-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidine-2-carboxamide
CID 130198997
1-[1-(2,2-difluoroethyl)-5-fluoroindol-3-yl]ethanone
CID 118447216
(2S,4R)-1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(3-phenylpropyl)pyrrolidine-2-carboxamide
CID 126623838
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 118322546
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(2,2,6-trifluoro-1,3-benzodioxol-5-yl)pyrrolidine-2-carboxamide
CID 118322537
1-[2-[3-acetyl-5-(pyridin-3-ylamino)indol-1-yl]acetyl]-N-(6-methyl-2-pyridinyl)azetidine-2-carboxamide
CID 126624065
(2S,4R)-1-[2-[3-acetyl-5-(pyrimidin-5-ylamino)indol-1-yl]acetyl]-4-fluoro-N-(5-phenylmethoxy-2-pyridinyl)pyrrolidine-2-carboxamide
CID 118322648

Frequently Asked Questions

What is the IUPAC name of 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid?
The IUPAC name of 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid (CID 135182770) is 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid.
What is the SMILES notation for 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid?
The canonical SMILES for 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid is CC(=O)c1cn(CC(=O)O)c2ccc(Nc3cncc(F)c3)cc12.
What is the InChIKey of 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid?
The InChIKey is XVPAEZFGGJWAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O3/c1-10(22)15-8-21(9-17(23)24)16-3-2-12(5-14(15)16)20-13-4-11(18)6-19-7-13/h2-8,20H,9H2,1H3,(H,23,24).
What are the key properties of 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid?
2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid has a molecular weight of 327.32 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-acetyl-5-[(5-fluoro-3-pyridinyl)amino]indol-1-yl]acetic acid is sourced from PubChem (CID 135182770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).