(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine

C23H25N5O2 — CID 59363494

IUPAC(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(N5CC[C@H](N)C5)c4n3)cnc2c1
InChIInChI=1S/C23H25N5O2/c1-29-11-12-30-18-8-10-28-21(14-25-22(28)13-18)19-6-5-16-3-2-4-20(23(16)26-19)27-9-7-17(24)15-27/h2-6,8,10,13-14,17H,7,9,11-12,15,24H2,1H3/t17-/m0/s1
InChIKeyVYZSAUXYPUKZEV-KRWDZBQOSA-N
MW403.49 g/mol
LogP3.11
Rot. Bonds6

About (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine

(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine (PubChem CID 59363494) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine
PubChem CID59363494
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine
SMILESCOCCOc1ccn2c(-c3ccc4cccc(N5CC[C@H](N)C5)c4n3)cnc2c1
InChIInChI=1S/C23H25N5O2/c1-29-11-12-30-18-8-10-28-21(14-25-22(28)13-18)19-6-5-16-3-2-4-20(23(16)26-19)27-9-7-17(24)15-27/h2-6,8,10,13-14,17H,7,9,11-12,15,24H2,1H3/t17-/m0/s1
InChIKeyVYZSAUXYPUKZEV-KRWDZBQOSA-N
XLogP3.11
TPSA77.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(3R)-3-methylpiperazin-1-yl]quinoline
CID 59363450
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-one
CID 68600936
2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-8-[(1-methylpyrrolidin-3-yl)methoxy]quinoline
CID 59176341
1-[5-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 59363460
1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]-6-(trifluoromethyl)quinolin-8-yl]piperidin-4-amine
CID 59363452
1-[2-[7-[(3-methyloxetan-3-yl)methoxy]imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]piperidin-4-amine
CID 163636070
3-[8-(4-aminopiperidin-1-yl)quinolin-2-yl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 141221336
N-[(3S,4R)-3-fluoropiperidin-4-yl]-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-amine
CID 66781550
[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl] trifluoromethanesulfonate
CID 86642347
benzyl (3S,4S)-3-fluoro-4-[6-fluoro-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]oxypiperidine-1-carboxylate
CID 67302393
8-methoxy-2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinoline-4-carbaldehyde
CID 86638607
7-(2-methoxyethoxy)-3-pyrimidin-4-ylimidazo[1,2-a]pyridine
CID 175782225

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine (CID 59363494) is (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine is COCCOc1ccn2c(-c3ccc4cccc(N5CC[C@H](N)C5)c4n3)cnc2c1.
What is the InChIKey of (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine?
The InChIKey is VYZSAUXYPUKZEV-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-29-11-12-30-18-8-10-28-21(14-25-22(28)13-18)19-6-5-16-3-2-4-20(23(16)26-19)27-9-7-17(24)15-27/h2-6,8,10,13-14,17H,7,9,11-12,15,24H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine?
(3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine has a molecular weight of 403.49 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]quinolin-8-yl]pyrrolidin-3-amine is sourced from PubChem (CID 59363494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).