[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

C31H26FN5O2 — CID 90095480

IUPAC[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F
InChIInChI=1S/C31H26FN5O2/c1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27/h2-13,15-17,23,35H,14,18,33H2,1H3/t23-/m1/s1
InChIKeyUIJOAUMMCKZBJL-HSZRJFAPSA-N
MW519.58 g/mol
LogP5.72
Rot. Bonds7

About [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate

[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (PubChem CID 90095480) has the molecular formula C31H26FN5O2 and a molecular weight of 519.58 g/mol. Its IUPAC name is [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.

Molecular Properties

Compound Name[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
PubChem CID90095480
Molecular FormulaC31H26FN5O2
Molecular Weight519.58 g/mol
Exact Mass519.21
IUPAC Name[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate
SMILESCc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F
InChIInChI=1S/C31H26FN5O2/c1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27/h2-13,15-17,23,35H,14,18,33H2,1H3/t23-/m1/s1
InChIKeyUIJOAUMMCKZBJL-HSZRJFAPSA-N
XLogP5.72
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.58
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The IUPAC name of [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate (CID 90095480) is [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate.
What is the SMILES notation for [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The canonical SMILES for [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is Cc1cc(-c2ncccc2-c2ccc3ncc(C(=O)OC[C@H](N)Cc4c[nH]c5ccccc45)n3c2)ccc1F.
What is the InChIKey of [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
The InChIKey is UIJOAUMMCKZBJL-HSZRJFAPSA-N. The full InChI is InChI=1S/C31H26FN5O2/c1-19-13-20(8-10-26(19)32)30-25(6-4-12-34-30)21-9-11-29-36-16-28(37(29)17-21)31(38)39-18-23(33)14-22-15-35-27-7-3-2-5-24(22)27/h2-13,15-17,23,35H,14,18,33H2,1H3/t23-/m1/s1.
What are the key properties of [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate?
[(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate has a molecular weight of 519.58 g/mol, XLogP of 5.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-amino-3-(1H-indol-3-yl)propyl] 6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-carboxylate is sourced from PubChem (CID 90095480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).