3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid

C27H22FN5O3 — CID 66782036

IUPAC3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc3ccc(-c4cnc5cc(-c6cccnc6)ccn45)nc23)C(F)C1
InChIInChI=1S/C27H22FN5O3/c28-20-16-32(27(34)35)11-9-23(20)36-24-5-1-3-17-6-7-21(31-26(17)24)22-15-30-25-13-18(8-12-33(22)25)19-4-2-10-29-14-19/h1-8,10,12-15,20,23H,9,11,16H2,(H,34,35)
InChIKeyPTULZDGXEKSDMB-UHFFFAOYSA-N
MW483.50 g/mol
LogP5.08
Rot. Bonds4

About 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid

3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid (PubChem CID 66782036) has the molecular formula C27H22FN5O3 and a molecular weight of 483.50 g/mol. Its IUPAC name is 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
PubChem CID66782036
Molecular FormulaC27H22FN5O3
Molecular Weight483.50 g/mol
Exact Mass483.17
IUPAC Name3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Oc2cccc3ccc(-c4cnc5cc(-c6cccnc6)ccn45)nc23)C(F)C1
InChIInChI=1S/C27H22FN5O3/c28-20-16-32(27(34)35)11-9-23(20)36-24-5-1-3-17-6-7-21(31-26(17)24)22-15-30-25-13-18(8-12-33(22)25)19-4-2-10-29-14-19/h1-8,10,12-15,20,23H,9,11,16H2,(H,34,35)
InChIKeyPTULZDGXEKSDMB-UHFFFAOYSA-N
XLogP5.08
TPSA92.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.50
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid (CID 66782036) is 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid is O=C(O)N1CCC(Oc2cccc3ccc(-c4cnc5cc(-c6cccnc6)ccn45)nc23)C(F)C1.
What is the InChIKey of 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
The InChIKey is PTULZDGXEKSDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5O3/c28-20-16-32(27(34)35)11-9-23(20)36-24-5-1-3-17-6-7-21(31-26(17)24)22-15-30-25-13-18(8-12-33(22)25)19-4-2-10-29-14-19/h1-8,10,12-15,20,23H,9,11,16H2,(H,34,35).
What are the key properties of 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid?
3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid has a molecular weight of 483.50 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[2-(7-pyridin-3-ylimidazo[1,2-a]pyridin-3-yl)quinolin-8-yl]oxypiperidine-1-carboxylic acid is sourced from PubChem (CID 66782036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).