3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide

C20H22FN5O2 — CID 53040014

IUPAC3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NCC1CCCO1
InChIInChI=1S/C20H22FN5O2/c21-15-4-1-3-14(11-15)19-20(26-9-8-22-13-17(26)25-19)23-7-6-18(27)24-12-16-5-2-10-28-16/h1,3-4,8-9,11,13,16,23H,2,5-7,10,12H2,(H,24,27)
InChIKeySXEIYRLISITKEF-UHFFFAOYSA-N
MW383.43 g/mol
LogP2.63
Rot. Bonds7

About 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide

3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 53040014) has the molecular formula C20H22FN5O2 and a molecular weight of 383.43 g/mol. Its IUPAC name is 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID53040014
Molecular FormulaC20H22FN5O2
Molecular Weight383.43 g/mol
Exact Mass383.18
IUPAC Name3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NCC1CCCO1
InChIInChI=1S/C20H22FN5O2/c21-15-4-1-3-14(11-15)19-20(26-9-8-22-13-17(26)25-19)23-7-6-18(27)24-12-16-5-2-10-28-16/h1,3-4,8-9,11,13,16,23H,2,5-7,10,12H2,(H,24,27)
InChIKeySXEIYRLISITKEF-UHFFFAOYSA-N
XLogP2.63
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide (CID 53040014) is 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide is O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NCC1CCCO1.
What is the InChIKey of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is SXEIYRLISITKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O2/c21-15-4-1-3-14(11-15)19-20(26-9-8-22-13-17(26)25-19)23-7-6-18(27)24-12-16-5-2-10-28-16/h1,3-4,8-9,11,13,16,23H,2,5-7,10,12H2,(H,24,27).
What are the key properties of 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide?
3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 383.43 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 53040014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).