3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

C26H20N4O4 — CID 146313763

IUPAC3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESN#Cc1cn2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cccc2n1
InChIInChI=1S/C26H20N4O4/c27-13-16-14-30-17(6-5-11-24(30)28-16)12-23(25(31)32)29-26(33)34-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-11,14,22-23H,12,15H2,(H,29,33)(H,31,32)
InChIKeyBURKRTBTOJRDHD-UHFFFAOYSA-N
MW452.47 g/mol
LogP3.74
Rot. Bonds6

About 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid

3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (PubChem CID 146313763) has the molecular formula C26H20N4O4 and a molecular weight of 452.47 g/mol. Its IUPAC name is 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
PubChem CID146313763
Molecular FormulaC26H20N4O4
Molecular Weight452.47 g/mol
Exact Mass452.15
IUPAC Name3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
SMILESN#Cc1cn2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cccc2n1
InChIInChI=1S/C26H20N4O4/c27-13-16-14-30-17(6-5-11-24(30)28-16)12-23(25(31)32)29-26(33)34-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-11,14,22-23H,12,15H2,(H,29,33)(H,31,32)
InChIKeyBURKRTBTOJRDHD-UHFFFAOYSA-N
XLogP3.74
TPSA116.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(6-cyanopyridazin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 146313558
3-(6-chloro-2-phenylimidazo[1,2-a]pyridin-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 170882706
3-(cyanomethylsulfanyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103666994
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoic acid;hydrate
CID 70700086
3-(2-ethyl-5-methylpyrazol-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103695854
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-trimethylsilylpropanoic acid
CID 165351061
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-quinolin-8-ylpropanoic acid
CID 139209026
3-anthracen-9-yl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 4225821
3-(3-ethyl-1-methylpyrazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103695853
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]propanoic acid
CID 170882557
3-(1,3-diethylpyrazol-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 103695855
(2S)-3-[(2S)-2-carboxy-2-(9H-fluoren-9-ylmethoxycarbonylamino)ethoxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid
CID 67718398

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The IUPAC name of 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid (CID 146313763) is 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid.
What is the SMILES notation for 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The canonical SMILES for 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is N#Cc1cn2c(CC(NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)cccc2n1.
What is the InChIKey of 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
The InChIKey is BURKRTBTOJRDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O4/c27-13-16-14-30-17(6-5-11-24(30)28-16)12-23(25(31)32)29-26(33)34-15-22-20-9-3-1-7-18(20)19-8-2-4-10-21(19)22/h1-11,14,22-23H,12,15H2,(H,29,33)(H,31,32).
What are the key properties of 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid?
3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid has a molecular weight of 452.47 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyanoimidazo[1,2-a]pyridin-5-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid is sourced from PubChem (CID 146313763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).