5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one

C29H33FN6O2 — CID 129057686

IUPAC5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CN[C@@H]5CCC(F)C5)cc4)no3)n2)ccc1=O
InChIInChI=1S/C29H33FN6O2/c1-3-23(4-2)36-17-20(9-12-27(36)37)25-16-33-29(31)28(34-25)26-14-24(35-38-26)19-7-5-18(6-8-19)15-32-22-11-10-21(30)13-22/h5-9,12,14,16-17,21-23,32H,3-4,10-11,13,15H2,1-2H3,(H2,31,33)/t21?,22-/m1/s1
InChIKeyNXFMZRPNOOMXSZ-FOIFJWKZSA-N
MW516.62 g/mol
LogP5.55
Rot. Bonds9

About 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one

5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one (PubChem CID 129057686) has the molecular formula C29H33FN6O2 and a molecular weight of 516.62 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
PubChem CID129057686
Molecular FormulaC29H33FN6O2
Molecular Weight516.62 g/mol
Exact Mass516.26
IUPAC Name5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CN[C@@H]5CCC(F)C5)cc4)no3)n2)ccc1=O
InChIInChI=1S/C29H33FN6O2/c1-3-23(4-2)36-17-20(9-12-27(36)37)25-16-33-29(31)28(34-25)26-14-24(35-38-26)19-7-5-18(6-8-19)15-32-22-11-10-21(30)13-22/h5-9,12,14,16-17,21-23,32H,3-4,10-11,13,15H2,1-2H3,(H2,31,33)/t21?,22-/m1/s1
InChIKeyNXFMZRPNOOMXSZ-FOIFJWKZSA-N
XLogP5.55
TPSA111.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.62
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one (CID 129057686) is 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one is CCC(CC)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CN[C@@H]5CCC(F)C5)cc4)no3)n2)ccc1=O.
What is the InChIKey of 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
The InChIKey is NXFMZRPNOOMXSZ-FOIFJWKZSA-N. The full InChI is InChI=1S/C29H33FN6O2/c1-3-23(4-2)36-17-20(9-12-27(36)37)25-16-33-29(31)28(34-25)26-14-24(35-38-26)19-7-5-18(6-8-19)15-32-22-11-10-21(30)13-22/h5-9,12,14,16-17,21-23,32H,3-4,10-11,13,15H2,1-2H3,(H2,31,33)/t21?,22-/m1/s1.
What are the key properties of 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one?
5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one has a molecular weight of 516.62 g/mol, XLogP of 5.55, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-[[[(1R)-3-fluorocyclopentyl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-pentan-3-ylpyridin-2-one is sourced from PubChem (CID 129057686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).