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

C21H24FN5O — CID 53040027

IUPACN-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NC1CCCCC1
InChIInChI=1S/C21H24FN5O/c22-16-6-4-5-15(13-16)20-21(27-12-11-23-14-18(27)26-20)24-10-9-19(28)25-17-7-2-1-3-8-17/h4-6,11-14,17,24H,1-3,7-10H2,(H,25,28)
InChIKeyOQHRZXYZHDUAIX-UHFFFAOYSA-N
MW381.45 g/mol
LogP3.79
Rot. Bonds6

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

N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (PubChem CID 53040027) has the molecular formula C21H24FN5O and a molecular weight of 381.45 g/mol. Its IUPAC name is N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
PubChem CID53040027
Molecular FormulaC21H24FN5O
Molecular Weight381.45 g/mol
Exact Mass381.20
IUPAC NameN-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide
SMILESO=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NC1CCCCC1
InChIInChI=1S/C21H24FN5O/c22-16-6-4-5-15(13-16)20-21(27-12-11-23-14-18(27)26-20)24-10-9-19(28)25-17-7-2-1-3-8-17/h4-6,11-14,17,24H,1-3,7-10H2,(H,25,28)
InChIKeyOQHRZXYZHDUAIX-UHFFFAOYSA-N
XLogP3.79
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.45
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The IUPAC name of N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide (CID 53040027) is N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The canonical SMILES for N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is O=C(CCNc1c(-c2cccc(F)c2)nc2cnccn12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
The InChIKey is OQHRZXYZHDUAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c22-16-6-4-5-15(13-16)20-21(27-12-11-23-14-18(27)26-20)24-10-9-19(28)25-17-7-2-1-3-8-17/h4-6,11-14,17,24H,1-3,7-10H2,(H,25,28).
What are the key properties of N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide?
N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide has a molecular weight of 381.45 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[[2-(3-fluorophenyl)imidazo[1,2-a]pyrazin-3-yl]amino]propanamide is sourced from PubChem (CID 53040027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).