3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid

C22H21N5O2 — CID 141221336

IUPAC3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNC1CCN(c2cccc3ccc(-c4cnc5cc(C(=O)O)ccn45)nc23)CC1
InChIInChI=1S/C22H21N5O2/c23-16-7-9-26(10-8-16)18-3-1-2-14-4-5-17(25-21(14)18)19-13-24-20-12-15(22(28)29)6-11-27(19)20/h1-6,11-13,16H,7-10,23H2,(H,28,29)
InChIKeyHSHXPKDIVNMYRY-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.18
Rot. Bonds3

About 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid

3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 141221336) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID141221336
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESNC1CCN(c2cccc3ccc(-c4cnc5cc(C(=O)O)ccn45)nc23)CC1
InChIInChI=1S/C22H21N5O2/c23-16-7-9-26(10-8-16)18-3-1-2-14-4-5-17(25-21(14)18)19-13-24-20-12-15(22(28)29)6-11-27(19)20/h1-6,11-13,16H,7-10,23H2,(H,28,29)
InChIKeyHSHXPKDIVNMYRY-UHFFFAOYSA-N
XLogP3.18
TPSA96.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 68601300
(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine
CID 59363494
1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 163636070
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one
CID 68600936
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine
CID 59363452
methyl 3-(8-bromoquinolin-2-yl)imidazo[1,2-a]pyridine-7-carboxylate
CID 68598922
1-[5-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 59363460
1-(2-methylquinolin-8-yl)piperidin-4-amine
CID 167019994
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline
CID 59363450
3-[6-[[(1S,2S)-2-fluorocyclopentyl]amino]-2-pyridinyl]imidazo[1,2-a]pyridine-7-carboxamide
CID 170240809
1-quinolin-8-ylpiperidin-4-amine
CID 81224219
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
CID 59176341

Frequently Asked Questions

What is the IUPAC name of 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid (CID 141221336) is 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid is NC1CCN(c2cccc3ccc(-c4cnc5cc(C(=O)O)ccn45)nc23)CC1.
What is the InChIKey of 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is HSHXPKDIVNMYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-16-7-9-26(10-8-16)18-3-1-2-14-4-5-17(25-21(14)18)19-13-24-20-12-15(22(28)29)6-11-27(19)20/h1-6,11-13,16H,7-10,23H2,(H,28,29).
What are the key properties of 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid?
3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 387.44 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 141221336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).