benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate

C22H19FN4O2 — CID 58459359

IUPACbenzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(F)cn2c1-c1cccnc1
InChIInChI=1S/C22H19FN4O2/c1-15(25-22(28)29-14-16-6-3-2-4-7-16)20-21(17-8-5-11-24-12-17)27-13-18(23)9-10-19(27)26-20/h2-13,15H,14H2,1H3,(H,25,28)/t15-/m0/s1
InChIKeyFCIYZAPKHDLBRQ-HNNXBMFYSA-N
MW390.42 g/mol
LogP4.52
Rot. Bonds5

About benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate

benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate (PubChem CID 58459359) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
PubChem CID58459359
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC Namebenzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(F)cn2c1-c1cccnc1
InChIInChI=1S/C22H19FN4O2/c1-15(25-22(28)29-14-16-6-3-2-4-7-16)20-21(17-8-5-11-24-12-17)27-13-18(23)9-10-19(27)26-20/h2-13,15H,14H2,1H3,(H,25,28)/t15-/m0/s1
InChIKeyFCIYZAPKHDLBRQ-HNNXBMFYSA-N
XLogP4.52
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate (CID 58459359) is benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate is C[C@H](NC(=O)OCc1ccccc1)c1nc2ccc(F)cn2c1-c1cccnc1.
What is the InChIKey of benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
The InChIKey is FCIYZAPKHDLBRQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c1-15(25-22(28)29-14-16-6-3-2-4-7-16)20-21(17-8-5-11-24-12-17)27-13-18(23)9-10-19(27)26-20/h2-13,15H,14H2,1H3,(H,25,28)/t15-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate?
benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate has a molecular weight of 390.42 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-(6-fluoro-3-pyridin-3-ylimidazo[1,2-a]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 58459359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).